N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide

C27H37N7O — CID 145385126

IUPACN-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cn4)cc23)CC1
InChIInChI=1S/C27H37N7O/c1-19(2)30-27(35)32-13-11-31(12-14-32)25-7-9-29-34-18-23(15-26(25)34)24-6-5-21(16-28-24)22-8-10-33(17-22)20(3)4/h5-7,9,15-16,18-20,22H,8,10-14,17H2,1-4H3,(H,30,35)
InChIKeyRLEZBKXRYWEXLU-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.83
Rot. Bonds5

About N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide

N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide (PubChem CID 145385126) has the molecular formula C27H37N7O and a molecular weight of 475.64 g/mol. Its IUPAC name is N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide
PubChem CID145385126
Molecular FormulaC27H37N7O
Molecular Weight475.64 g/mol
Exact Mass475.31
IUPAC NameN-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cn4)cc23)CC1
InChIInChI=1S/C27H37N7O/c1-19(2)30-27(35)32-13-11-31(12-14-32)25-7-9-29-34-18-23(15-26(25)34)24-6-5-21(16-28-24)22-8-10-33(17-22)20(3)4/h5-7,9,15-16,18-20,22H,8,10-14,17H2,1-4H3,(H,30,35)
InChIKeyRLEZBKXRYWEXLU-UHFFFAOYSA-N
XLogP3.83
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
1-Ethyl-3-[1-(Pyridin-2-Yl)-6-(Pyridin-3-Yl)-1h-Pyrrolo[3,2-B]pyridin-3-Yl]urea
CID 92045130
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-[1,2,3]triazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 9826761
1-(2-{4-[5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 9827354
1-(2-(dimethylamino)ethyl)-3-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)urea
CID 10203695
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11016395
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11812916
1-(3-(dimethylamino)propyl)-3-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)urea
CID 21992896
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 52936268

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide (CID 145385126) is N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cn4)cc23)CC1.
What is the InChIKey of N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide?
The InChIKey is RLEZBKXRYWEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O/c1-19(2)30-27(35)32-13-11-31(12-14-32)25-7-9-29-34-18-23(15-26(25)34)24-6-5-21(16-28-24)22-8-10-33(17-22)20(3)4/h5-7,9,15-16,18-20,22H,8,10-14,17H2,1-4H3,(H,30,35).
What are the key properties of N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide?
N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 145385126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).