(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C23H28ClN5O2 — CID 123535101

IUPAC(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1nn(-c2ccc(Cl)cn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H28ClN5O2/c24-16-3-4-19(25-13-16)29-21-17-11-15(17)12-18(21)20(27-29)22(30)26-23(5-1-2-6-23)14-28-7-9-31-10-8-28/h3-4,13,15,17H,1-2,5-12,14H2,(H,26,30)/t15-,17-/m1/s1
InChIKeyGRHBUSKXXLZOLU-NVXWUHKLSA-N
MW441.96 g/mol
LogP2.96
Rot. Bonds5

About (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 123535101) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID123535101
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC Name(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1nn(-c2ccc(Cl)cn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H28ClN5O2/c24-16-3-4-19(25-13-16)29-21-17-11-15(17)12-18(21)20(27-29)22(30)26-23(5-1-2-6-23)14-28-7-9-31-10-8-28/h3-4,13,15,17H,1-2,5-12,14H2,(H,26,30)/t15-,17-/m1/s1
InChIKeyGRHBUSKXXLZOLU-NVXWUHKLSA-N
XLogP2.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Related Compounds

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CID 75600401
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
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CID 123226715
(2R,4R)-9-(5-fluoro-2-pyridinyl)-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123831034
5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
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(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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3-(3-hydroxy-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzamide
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1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
CID 74232760
(2R,4R)-9-(2-chloro-4-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123185906
(2R,4R)-9-(4-chloro-2-pyridinyl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123245770
(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 51030647

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 123535101) is (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is O=C(NC1(CN2CCOCC2)CCCC1)c1nn(-c2ccc(Cl)cn2)c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is GRHBUSKXXLZOLU-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c24-16-3-4-19(25-13-16)29-21-17-11-15(17)12-18(21)20(27-29)22(30)26-23(5-1-2-6-23)14-28-7-9-31-10-8-28/h3-4,13,15,17H,1-2,5-12,14H2,(H,26,30)/t15-,17-/m1/s1.
What are the key properties of (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 123535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).