(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide

C19H20ClN5O3 — CID 146215519

IUPAC(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide
SMILESNc1nc2cc(n1)N1CCCOC[C@H]1c1cc(c(C(=O)NC3CC3)cc1Cl)O2
InChIInChI=1S/C19H20ClN5O3/c20-13-6-12(18(26)22-10-2-3-10)15-7-11(13)14-9-27-5-1-4-25(14)16-8-17(28-15)24-19(21)23-16/h6-8,10,14H,1-5,9H2,(H,22,26)(H2,21,23,24)/t14-/m0/s1
InChIKeyVZVPTRJHBMBSEC-AWEZNQCLSA-N
MW401.85 g/mol
LogP2.68
Rot. Bonds2

About (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide

(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide (PubChem CID 146215519) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide.

Molecular Properties

Compound Name(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide
PubChem CID146215519
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide
SMILESNc1nc2cc(n1)N1CCCOC[C@H]1c1cc(c(C(=O)NC3CC3)cc1Cl)O2
InChIInChI=1S/C19H20ClN5O3/c20-13-6-12(18(26)22-10-2-3-10)15-7-11(13)14-9-27-5-1-4-25(14)16-8-17(28-15)24-19(21)23-16/h6-8,10,14H,1-5,9H2,(H,22,26)(H2,21,23,24)/t14-/m0/s1
InChIKeyVZVPTRJHBMBSEC-AWEZNQCLSA-N
XLogP2.68
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide with MolForge

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Related Compounds

4-[(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-5-chloro-N-cyclopropyl-2-hydroxybenzamide
CID 146215189
5-[4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-2,4-dichlorobenzoic acid
CID 146215449
4-[3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215444
4-[(3S)-3-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215131
methyl 4-[4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-5-chloro-2-cyanobenzoate
CID 146214813
4-[3-[2-chloro-5-methyl-4-(methylamino)phenyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215296
1-[4-[(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-5-chloro-2-hydroxyphenyl]-4-hydroxybutan-1-one
CID 160572109
5-[(3R)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-4-chloro-2-methylphenol
CID 146215357
5-[(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-4-chloro-2-methylphenol
CID 146215507
4-[(3R)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-3-chloro-N,N-dimethylbenzamide;4-[(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-3-chloro-N,N-dimethylbenzamide
CID 159143880
4-[4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-5-chloro-2-methoxyphenol
CID 146215298
2-[3-[(3R)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-3-yl]-4-chloroanilino]ethanol
CID 146193623

Frequently Asked Questions

What is the IUPAC name of (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide?
The IUPAC name of (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide (CID 146215519) is (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide.
What is the SMILES notation for (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide?
The canonical SMILES for (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide is Nc1nc2cc(n1)N1CCCOC[C@H]1c1cc(c(C(=O)NC3CC3)cc1Cl)O2.
What is the InChIKey of (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide?
The InChIKey is VZVPTRJHBMBSEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c20-13-6-12(18(26)22-10-2-3-10)15-7-11(13)14-9-27-5-1-4-25(14)16-8-17(28-15)24-19(21)23-16/h6-8,10,14H,1-5,9H2,(H,22,26)(H2,21,23,24)/t14-/m0/s1.
What are the key properties of (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide?
(8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-17-amino-10-chloro-N-cyclopropyl-6,14-dioxa-2,16,18-triazatetracyclo[13.3.1.19,13.02,8]icosa-1(19),9(20),10,12,15,17-hexaene-12-carboxamide is sourced from PubChem (CID 146215519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).