N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide

C25H31N5O2 — CID 162494459

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1N1CCCCC1
InChIInChI=1S/C25H31N5O2/c1-16(2)22-19(24(31)28-20-11-14-32-21-10-6-5-9-18(20)21)15-26-30-23(22)27-17(3)25(30)29-12-7-4-8-13-29/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyAAQKMIOUAVOADM-FQEVSTJZSA-N
MW433.56 g/mol
LogP4.41
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494459) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494459
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1N1CCCCC1
InChIInChI=1S/C25H31N5O2/c1-16(2)22-19(24(31)28-20-11-14-32-21-10-6-5-9-18(20)21)15-26-30-23(22)27-17(3)25(30)29-12-7-4-8-13-29/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyAAQKMIOUAVOADM-FQEVSTJZSA-N
XLogP4.41
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494459) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1N1CCCCC1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is AAQKMIOUAVOADM-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16(2)22-19(24(31)28-20-11-14-32-21-10-6-5-9-18(20)21)15-26-30-23(22)27-17(3)25(30)29-12-7-4-8-13-29/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t20-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).