1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine

C23H26ClN7 — CID 77105411

IUPAC1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CCC(N)C5)ncc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H26ClN7/c1-14-7-15(2)22(27-9-14)18-8-21(26-11-19(18)24)30-6-4-20-16(12-30)10-28-23(29-20)31-5-3-17(25)13-31/h7-11,17H,3-6,12-13,25H2,1-2H3
InChIKeyCHNAOKLZAVOGET-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.30
Rot. Bonds3

About 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine

1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 77105411) has the molecular formula C23H26ClN7 and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID77105411
Molecular FormulaC23H26ClN7
Molecular Weight435.96 g/mol
Exact Mass435.19
IUPAC Name1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CCC(N)C5)ncc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H26ClN7/c1-14-7-15(2)22(27-9-14)18-8-21(26-11-19(18)24)30-6-4-20-16(12-30)10-28-23(29-20)31-5-3-17(25)13-31/h7-11,17H,3-6,12-13,25H2,1-2H3
InChIKeyCHNAOKLZAVOGET-UHFFFAOYSA-N
XLogP3.30
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine (CID 77105411) is 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine is Cc1cnc(-c2cc(N3CCc4nc(N5CCC(N)C5)ncc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is CHNAOKLZAVOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7/c1-14-7-15(2)22(27-9-14)18-8-21(26-11-19(18)24)30-6-4-20-16(12-30)10-28-23(29-20)31-5-3-17(25)13-31/h7-11,17H,3-6,12-13,25H2,1-2H3.
What are the key properties of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine?
1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 435.96 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 77105411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).