(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol

C21H23ClN6O2 — CID 25032347

IUPAC(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol
SMILESCOc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIInChI=1S/C21H23ClN6O2/c1-30-20-5-2-14(10-24-20)17(7-9-29)27-21-16-12-28(8-6-18(16)25-13-26-21)19-4-3-15(22)11-23-19/h2-5,10-11,13,17,29H,6-9,12H2,1H3,(H,25,26,27)/t17-/m1/s1
InChIKeySGUGDZUWFAUPNY-QGZVFWFLSA-N
MW426.91 g/mol
LogP3.03
Rot. Bonds7

About (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol

(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol (PubChem CID 25032347) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol
PubChem CID25032347
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol
SMILESCOc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIInChI=1S/C21H23ClN6O2/c1-30-20-5-2-14(10-24-20)17(7-9-29)27-21-16-12-28(8-6-18(16)25-13-26-21)19-4-3-15(22)11-23-19/h2-5,10-11,13,17,29H,6-9,12H2,1H3,(H,25,26,27)/t17-/m1/s1
InChIKeySGUGDZUWFAUPNY-QGZVFWFLSA-N
XLogP3.03
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol?
The IUPAC name of (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol (CID 25032347) is (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol?
The canonical SMILES for (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol is COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1.
What is the InChIKey of (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol?
The InChIKey is SGUGDZUWFAUPNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-30-20-5-2-14(10-24-20)17(7-9-29)27-21-16-12-28(8-6-18(16)25-13-26-21)19-4-3-15(22)11-23-19/h2-5,10-11,13,17,29H,6-9,12H2,1H3,(H,25,26,27)/t17-/m1/s1.
What are the key properties of (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol?
(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol has a molecular weight of 426.91 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 25032347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).