[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone

C27H30FN5O — CID 67639759

IUPAC[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone
SMILESCC(C)n1cc(CCNC2CCc3c(c4cc(C(=O)c5ccc(F)cc5)ccc4n3N)C2)cn1
InChIInChI=1S/C27H30FN5O/c1-17(2)32-16-18(15-31-32)11-12-30-22-8-10-26-24(14-22)23-13-20(5-9-25(23)33(26)29)27(34)19-3-6-21(28)7-4-19/h3-7,9,13,15-17,22,30H,8,10-12,14,29H2,1-2H3
InChIKeyNQUNCZMGMITLOF-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.19
Rot. Bonds7

About [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone

[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone (PubChem CID 67639759) has the molecular formula C27H30FN5O and a molecular weight of 459.57 g/mol. Its IUPAC name is [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone
PubChem CID67639759
Molecular FormulaC27H30FN5O
Molecular Weight459.57 g/mol
Exact Mass459.24
IUPAC Name[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone
SMILESCC(C)n1cc(CCNC2CCc3c(c4cc(C(=O)c5ccc(F)cc5)ccc4n3N)C2)cn1
InChIInChI=1S/C27H30FN5O/c1-17(2)32-16-18(15-31-32)11-12-30-22-8-10-26-24(14-22)23-13-20(5-9-25(23)33(26)29)27(34)19-3-6-21(28)7-4-19/h3-7,9,13,15-17,22,30H,8,10-12,14,29H2,1-2H3
InChIKeyNQUNCZMGMITLOF-UHFFFAOYSA-N
XLogP4.19
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[2-(1-methylpyrazol-4-yl)ethylamino]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-(3-propoxyphenyl)methanone;trifluoromethanesulfonic acid
CID 18972075
6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
(3-fluorophenyl) N-[6-[[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 18971918
methyl (6R)-9-[(3-fluorophenyl)methyl]-6-(2-methylpropanoylamino)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57431679
2-[(3R)-6-fluoro-3-[3-(4-methylphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204841
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
2-[(3R)-6-fluoro-3-[(5-fluoropyrimidin-2-yl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 53467578
methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
2-[6-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205486
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 46998990
(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 172642107

Frequently Asked Questions

What is the IUPAC name of [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone (CID 67639759) is [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone is CC(C)n1cc(CCNC2CCc3c(c4cc(C(=O)c5ccc(F)cc5)ccc4n3N)C2)cn1.
What is the InChIKey of [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is NQUNCZMGMITLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O/c1-17(2)32-16-18(15-31-32)11-12-30-22-8-10-26-24(14-22)23-13-20(5-9-25(23)33(26)29)27(34)19-3-6-21(28)7-4-19/h3-7,9,13,15-17,22,30H,8,10-12,14,29H2,1-2H3.
What are the key properties of [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone?
[9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 459.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-amino-6-[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]-5,6,7,8-tetrahydrocarbazol-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67639759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).