N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide

C25H26N8O2 — CID 144738606

IUPACN-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
SMILESCCNC(=O)Nc1cn2nc(N3CC[C@H](NC(=O)c4cccc(-c5ccccc5)n4)C3)ccc2n1
InChIInChI=1S/C25H26N8O2/c1-2-26-25(35)30-21-16-33-22(29-21)11-12-23(31-33)32-14-13-18(15-32)27-24(34)20-10-6-9-19(28-20)17-7-4-3-5-8-17/h3-12,16,18H,2,13-15H2,1H3,(H,27,34)(H2,26,30,35)/t18-/m0/s1
InChIKeyNFKSYQSMCWDGAQ-SFHVURJKSA-N
MW470.54 g/mol
LogP2.94
Rot. Bonds6

About N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide

N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide (PubChem CID 144738606) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
PubChem CID144738606
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC NameN-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
SMILESCCNC(=O)Nc1cn2nc(N3CC[C@H](NC(=O)c4cccc(-c5ccccc5)n4)C3)ccc2n1
InChIInChI=1S/C25H26N8O2/c1-2-26-25(35)30-21-16-33-22(29-21)11-12-23(31-33)32-14-13-18(15-32)27-24(34)20-10-6-9-19(28-20)17-7-4-3-5-8-17/h3-12,16,18H,2,13-15H2,1H3,(H,27,34)(H2,26,30,35)/t18-/m0/s1
InChIKeyNFKSYQSMCWDGAQ-SFHVURJKSA-N
XLogP2.94
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 144737966
N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 144737895
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-5,6-dimethyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 144738134
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-3-methyl-5-oxo-1-phenyl-2-prop-2-enylpyrazole-4-carboxamide
CID 144738320
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-(2-hydroxybutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144738295
N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144737975
1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 144738371
1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea
CID 144738647
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738246

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide (CID 144738606) is N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide is CCNC(=O)Nc1cn2nc(N3CC[C@H](NC(=O)c4cccc(-c5ccccc5)n4)C3)ccc2n1.
What is the InChIKey of N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide?
The InChIKey is NFKSYQSMCWDGAQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-2-26-25(35)30-21-16-33-22(29-21)11-12-23(31-33)32-14-13-18(15-32)27-24(34)20-10-6-9-19(28-20)17-7-4-3-5-8-17/h3-12,16,18H,2,13-15H2,1H3,(H,27,34)(H2,26,30,35)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide?
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 144738606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).