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

C24H28ClN7 — CID 77105412

IUPAC1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)C1
InChIInChI=1S/C24H28ClN7/c1-15-8-16(2)23(28-10-15)19-9-22(27-12-20(19)25)31-7-5-21-17(13-31)11-29-24(30-21)32-6-4-18(14-32)26-3/h8-12,18,26H,4-7,13-14H2,1-3H3
InChIKeyFDPSWQRRZOZNNY-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.56
Rot. Bonds4

About 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N-methylpyrrolidin-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]-N-methylpyrrolidin-3-amine (PubChem CID 77105412) has the molecular formula C24H28ClN7 and a molecular weight of 449.99 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]-N-methylpyrrolidin-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]-N-methylpyrrolidin-3-amine
PubChem CID77105412
Molecular FormulaC24H28ClN7
Molecular Weight449.99 g/mol
Exact Mass449.21
IUPAC Name1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)C1
InChIInChI=1S/C24H28ClN7/c1-15-8-16(2)23(28-10-15)19-9-22(27-12-20(19)25)31-7-5-21-17(13-31)11-29-24(30-21)32-6-4-18(14-32)26-3/h8-12,18,26H,4-7,13-14H2,1-3H3
InChIKeyFDPSWQRRZOZNNY-UHFFFAOYSA-N
XLogP3.56
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.56
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]-N-methylpyrrolidin-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]-N-methylpyrrolidin-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]-N-methylpyrrolidin-3-amine (CID 77105412) is 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N-methylpyrrolidin-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]-N-methylpyrrolidin-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]-N-methylpyrrolidin-3-amine is CNC1CCN(c2ncc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)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]-N-methylpyrrolidin-3-amine?
The InChIKey is FDPSWQRRZOZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7/c1-15-8-16(2)23(28-10-15)19-9-22(27-12-20(19)25)31-7-5-21-17(13-31)11-29-24(30-21)32-6-4-18(14-32)26-3/h8-12,18,26H,4-7,13-14H2,1-3H3.
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]-N-methylpyrrolidin-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]-N-methylpyrrolidin-3-amine has a molecular weight of 449.99 g/mol, XLogP of 3.56, 4 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]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 77105412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).