2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

C21H19ClN8 — CID 90098602

IUPAC2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESClc1ccnc(Nc2cc(-c3nc(NC4CCNC4)c4ccncc4n3)ccn2)c1
InChIInChI=1S/C21H19ClN8/c22-14-2-8-26-19(10-14)29-18-9-13(1-7-25-18)20-28-17-12-24-6-4-16(17)21(30-20)27-15-3-5-23-11-15/h1-2,4,6-10,12,15,23H,3,5,11H2,(H,25,26,29)(H,27,28,30)
InChIKeyOJWGMVZFVIKCEJ-UHFFFAOYSA-N
MW418.89 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 90098602) has the molecular formula C21H19ClN8 and a molecular weight of 418.89 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID90098602
Molecular FormulaC21H19ClN8
Molecular Weight418.89 g/mol
Exact Mass418.14
IUPAC Name2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESClc1ccnc(Nc2cc(-c3nc(NC4CCNC4)c4ccncc4n3)ccn2)c1
InChIInChI=1S/C21H19ClN8/c22-14-2-8-26-19(10-14)29-18-9-13(1-7-25-18)20-28-17-12-24-6-4-16(17)21(30-20)27-15-3-5-23-11-15/h1-2,4,6-10,12,15,23H,3,5,11H2,(H,25,26,29)(H,27,28,30)
InChIKeyOJWGMVZFVIKCEJ-UHFFFAOYSA-N
XLogP3.65
TPSA100.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Falnidamol
CID 6918508
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Bms-279700
CID 9844320
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (CID 90098602) is 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is Clc1ccnc(Nc2cc(-c3nc(NC4CCNC4)c4ccncc4n3)ccn2)c1.
What is the InChIKey of 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OJWGMVZFVIKCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8/c22-14-2-8-26-19(10-14)29-18-9-13(1-7-25-18)20-28-17-12-24-6-4-16(17)21(30-20)27-15-3-5-23-11-15/h1-2,4,6-10,12,15,23H,3,5,11H2,(H,25,26,29)(H,27,28,30).
What are the key properties of 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 418.89 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90098602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).