2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C23H29N7O2 — CID 126938481

IUPAC2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1nc(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c2cccnc2n1
InChIInChI=1S/C23H29N7O2/c1-16-26-22-19(6-4-8-24-22)23(27-16)25-14-18-5-2-3-9-29(18)10-11-30-21(31)13-17-15-32-12-7-20(17)28-30/h4,6,8,13,18H,2-3,5,7,9-12,14-15H2,1H3,(H,24,25,26,27)
InChIKeyCAOUUSWNIHAUOJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126938481) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126938481
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1nc(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c2cccnc2n1
InChIInChI=1S/C23H29N7O2/c1-16-26-22-19(6-4-8-24-22)23(27-16)25-14-18-5-2-3-9-29(18)10-11-30-21(31)13-17-15-32-12-7-20(17)28-30/h4,6,8,13,18H,2-3,5,7,9-12,14-15H2,1H3,(H,24,25,26,27)
InChIKeyCAOUUSWNIHAUOJ-UHFFFAOYSA-N
XLogP1.93
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938404
2-[2-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938482
2-[2-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938403
2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938399
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938231
N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
CID 126938334
2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938090
2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938291
3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126937584
2-[2-[2-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938097
1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 126938378
2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938063

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126938481) is 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is Cc1nc(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c2cccnc2n1.
What is the InChIKey of 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is CAOUUSWNIHAUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-16-26-22-19(6-4-8-24-22)23(27-16)25-14-18-5-2-3-9-29(18)10-11-30-21(31)13-17-15-32-12-7-20(17)28-30/h4,6,8,13,18H,2-3,5,7,9-12,14-15H2,1H3,(H,24,25,26,27).
What are the key properties of 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 435.53 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126938481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).