5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine

C30H35N9 — CID 144884945

IUPAC5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CNCCC1Nc1nc(-c2ccnc(NC3=CC4C=CC=NN4CC3)c2)nc2cncc(C3CC3)c12
InChIInChI=1S/C30H35N9/c1-30(2)18-31-11-8-25(30)37-29-27-23(19-5-6-19)16-32-17-24(27)36-28(38-29)20-7-12-33-26(14-20)35-21-9-13-39-22(15-21)4-3-10-34-39/h3-4,7,10,12,14-17,19,22,25,31H,5-6,8-9,11,13,18H2,1-2H3,(H,33,35)(H,36,37,38)
InChIKeyKLOHAPVSBJPIKA-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.69
Rot. Bonds6

About 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 144884945) has the molecular formula C30H35N9 and a molecular weight of 521.67 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID144884945
Molecular FormulaC30H35N9
Molecular Weight521.67 g/mol
Exact Mass521.30
IUPAC Name5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CNCCC1Nc1nc(-c2ccnc(NC3=CC4C=CC=NN4CC3)c2)nc2cncc(C3CC3)c12
InChIInChI=1S/C30H35N9/c1-30(2)18-31-11-8-25(30)37-29-27-23(19-5-6-19)16-32-17-24(27)36-28(38-29)20-7-12-33-26(14-20)35-21-9-13-39-22(15-21)4-3-10-34-39/h3-4,7,10,12,14-17,19,22,25,31H,5-6,8-9,11,13,18H2,1-2H3,(H,33,35)(H,36,37,38)
InChIKeyKLOHAPVSBJPIKA-UHFFFAOYSA-N
XLogP4.69
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[5-cyclopropyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-benzoxazol-2-amine
CID 155394455
5-cyclobutyl-2-[2-(cyclohexa-1,3-dien-1-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 144934749
5-cyclobutyl-2-[2-[(4,6-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388704
5-cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388304
5-cyclobutyl-N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 118388479
6-[[4-[5-cyclobutyl-4-[[(4S)-3,3-dimethylpiperidin-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 118388315
4-tert-butyl-N-[4-[5-cyclobutyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 118388761
5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[2-[2-(5-ethynylpyrazol-1-yl)ethenylamino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123297495
5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123164551
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
2-[2-(4-chloroanilino)-4-pyridinyl]-5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 118224977
4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine
CID 155249922

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 144884945) is 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CNCCC1Nc1nc(-c2ccnc(NC3=CC4C=CC=NN4CC3)c2)nc2cncc(C3CC3)c12.
What is the InChIKey of 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KLOHAPVSBJPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N9/c1-30(2)18-31-11-8-25(30)37-29-27-23(19-5-6-19)16-32-17-24(27)36-28(38-29)20-7-12-33-26(14-20)35-21-9-13-39-22(15-21)4-3-10-34-39/h3-4,7,10,12,14-17,19,22,25,31H,5-6,8-9,11,13,18H2,1-2H3,(H,33,35)(H,36,37,38).
What are the key properties of 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 521.67 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 144884945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).