6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C22H27N5O — CID 122500170

IUPAC6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnccc1-c1cc2c(N[C@@H]3CCC(C)C3(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C22H27N5O/c1-13-10-24-8-7-16(13)15-9-18-20(17(21(23)28)11-25-27(18)12-15)26-19-6-5-14(2)22(19,3)4/h7-12,14,19,26H,5-6H2,1-4H3,(H2,23,28)/t14?,19-/m1/s1
InChIKeyKZCAOPMBQDPZCQ-JANGERMGSA-N
MW377.49 g/mol
LogP4.04
Rot. Bonds4

About 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122500170) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID122500170
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnccc1-c1cc2c(N[C@@H]3CCC(C)C3(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C22H27N5O/c1-13-10-24-8-7-16(13)15-9-18-20(17(21(23)28)11-25-27(18)12-15)26-19-6-5-14(2)22(19,3)4/h7-12,14,19,26H,5-6H2,1-4H3,(H2,23,28)/t14?,19-/m1/s1
InChIKeyKZCAOPMBQDPZCQ-JANGERMGSA-N
XLogP4.04
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
Jak-IN-3
CID 68291755
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
4-((1R,3S)-3-amino-2,2,3-trimethylcyclopentylamino)-6-(6-methoxypyridin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 86707711
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91755097
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769234

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 122500170) is 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1cnccc1-c1cc2c(N[C@@H]3CCC(C)C3(C)C)c(C(N)=O)cnn2c1.
What is the InChIKey of 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KZCAOPMBQDPZCQ-JANGERMGSA-N. The full InChI is InChI=1S/C22H27N5O/c1-13-10-24-8-7-16(13)15-9-18-20(17(21(23)28)11-25-27(18)12-15)26-19-6-5-14(2)22(19,3)4/h7-12,14,19,26H,5-6H2,1-4H3,(H2,23,28)/t14?,19-/m1/s1.
What are the key properties of 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122500170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).