1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol

C18H19ClN6O — CID 137366444

IUPAC1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol
SMILESC[C@@H]1Cc2ncnc(N3CC(O)C3)c2CN1c1cc(Cl)nc2[nH]ccc12
InChIInChI=1S/C18H19ClN6O/c1-10-4-14-13(18(22-9-21-14)24-6-11(26)7-24)8-25(10)15-5-16(19)23-17-12(15)2-3-20-17/h2-3,5,9-11,26H,4,6-8H2,1H3,(H,20,23)/t10-/m1/s1
InChIKeyFLAADWZJCBBSPK-SNVBAGLBSA-N
MW370.84 g/mol
LogP2.14
Rot. Bonds2

About 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol

1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol (PubChem CID 137366444) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol
PubChem CID137366444
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol
SMILESC[C@@H]1Cc2ncnc(N3CC(O)C3)c2CN1c1cc(Cl)nc2[nH]ccc12
InChIInChI=1S/C18H19ClN6O/c1-10-4-14-13(18(22-9-21-14)24-6-11(26)7-24)8-25(10)15-5-16(19)23-17-12(15)2-3-20-17/h2-3,5,9-11,26H,4,6-8H2,1H3,(H,20,23)/t10-/m1/s1
InChIKeyFLAADWZJCBBSPK-SNVBAGLBSA-N
XLogP2.14
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol (CID 137366444) is 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol is C[C@@H]1Cc2ncnc(N3CC(O)C3)c2CN1c1cc(Cl)nc2[nH]ccc12.
What is the InChIKey of 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is FLAADWZJCBBSPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-10-4-14-13(18(22-9-21-14)24-6-11(26)7-24)8-25(10)15-5-16(19)23-17-12(15)2-3-20-17/h2-3,5,9-11,26H,4,6-8H2,1H3,(H,20,23)/t10-/m1/s1.
What are the key properties of 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol?
1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 370.84 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-6-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 137366444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).