tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one

Name: tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C103H120Cl3N23O6 — CID 157057062

IUPACtris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one

SMILESCOc1ccc(CN2C(=O)c3c(cc(Cl)nc3C)C23CCCCC3)cc1.Cc1c(N)ccnc1Cl.Cc1nc(Nc2ccnc(Cl)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1

InChIInChI=1S/C21H23ClN2O2.C19H21ClN4O.3C19H23N5O.C6H7ClN2/c1-14-19-17(12-18(22)23-14)21(10-4-3-5-11-21)24(20(19)25)13-15-6-8-16(26-2)9-7-15;4*1-11-14(6-9-21-17(11)20)23-15-10-13-16(12(2)22-15)18(25)24-19(13)7-4-3-5-8-19;1-4-5(8)2-3-9-6(4)7/h6-9,12H,3-5,10-11,13H2,1-2H3;6,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H,21,22,23);3*6,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H3,20,21,22,23);2-3H,1H3,(H2,8,9)

InChIKeyAAWOJRBJHGAQKD-UHFFFAOYSA-N

MW1882.61 g/mol

LogP20.85

Rot. Bonds11

About tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one

tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one (PubChem CID 157057062) has the molecular formula C103H120Cl3N23O6 and a molecular weight of 1882.61 g/mol. Its IUPAC name is tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one.

Molecular Properties

Compound Name	tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one
PubChem CID	157057062
Molecular Formula	C103H120Cl3N23O6
Molecular Weight	1882.61 g/mol
Exact Mass	1879.89
IUPAC Name	tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one
SMILES	COc1ccc(CN2C(=O)c3c(cc(Cl)nc3C)C23CCCCC3)cc1.Cc1c(N)ccnc1Cl.Cc1nc(Nc2ccnc(Cl)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1
InChI	InChI=1S/C21H23ClN2O2.C19H21ClN4O.3C19H23N5O.C6H7ClN2/c1-14-19-17(12-18(22)23-14)21(10-4-3-5-11-21)24(20(19)25)13-15-6-8-16(26-2)9-7-15;41-11-14(6-9-21-17(11)20)23-15-10-13-16(12(2)22-15)18(25)24-19(13)7-4-3-5-8-19;1-4-5(8)2-3-9-6(4)7/h6-9,12H,3-5,10-11,13H2,1-2H3;6,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H,21,22,23);36,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H3,20,21,22,23);2-3H,1H3,(H2,8,9)
InChIKey	AAWOJRBJHGAQKD-UHFFFAOYSA-N
XLogP	20.85
TPSA	427.04 Å²
H-Bond Donors	12
H-Bond Acceptors	24
Rotatable Bonds	11
Heavy Atoms	135
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.61
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one?

The IUPAC name of tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one (CID 157057062) is tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one.

What is the SMILES notation for tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one?

The canonical SMILES for tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one is COc1ccc(CN2C(=O)c3c(cc(Cl)nc3C)C23CCCCC3)cc1.Cc1c(N)ccnc1Cl.Cc1nc(Nc2ccnc(Cl)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.Cc1nc(Nc2ccnc(N)c2C)cc2c1C(=O)NC21CCCCC1.

What is the InChIKey of tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one?

The InChIKey is AAWOJRBJHGAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2.C19H21ClN4O.3C19H23N5O.C6H7ClN2/c1-14-19-17(12-18(22)23-14)21(10-4-3-5-11-21)24(20(19)25)13-15-6-8-16(26-2)9-7-15;4*1-11-14(6-9-21-17(11)20)23-15-10-13-16(12(2)22-15)18(25)24-19(13)7-4-3-5-8-19;1-4-5(8)2-3-9-6(4)7/h6-9,12H,3-5,10-11,13H2,1-2H3;6,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H,21,22,23);3*6,9-10H,3-5,7-8H2,1-2H3,(H,24,25)(H3,20,21,22,23);2-3H,1H3,(H2,8,9).

What are the key properties of tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one?

Where does this data come from?

All data for tris(6-[(2-amino-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one);6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one;2-chloro-3-methylpyridin-4-amine;6-[(2-chloro-3-methyl-4-pyridinyl)amino]-4-methylspiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclohexane]-3-one is sourced from PubChem (CID 157057062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).