N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C22H21N9O2 — CID 59233038

IUPACN-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(CCO)c5)cc43)ccc2n1)C1CC1
InChIInChI=1S/C22H21N9O2/c32-8-7-29-11-16(10-23-29)15-3-5-18-19(9-15)30(28-26-18)12-17-4-6-21-24-20(13-31(21)27-17)25-22(33)14-1-2-14/h3-6,9-11,13-14,32H,1-2,7-8,12H2,(H,25,33)
InChIKeyFGELHXDQPILSFH-UHFFFAOYSA-N
MW443.47 g/mol
LogP1.73
Rot. Bonds7

About N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233038) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233038
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(CCO)c5)cc43)ccc2n1)C1CC1
InChIInChI=1S/C22H21N9O2/c32-8-7-29-11-16(10-23-29)15-3-5-18-19(9-15)30(28-26-18)12-17-4-6-21-24-20(13-31(21)27-17)25-22(33)14-1-2-14/h3-6,9-11,13-14,32H,1-2,7-8,12H2,(H,25,33)
InChIKeyFGELHXDQPILSFH-UHFFFAOYSA-N
XLogP1.73
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
N-(3-((6-((1-(2-Methoxyethyl)-1H-pyrazol-4-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)phenyl)acrylamide
CID 146478990
Pyrrolidinyl urea derivative 13
CID 71471488
N-[3-[7-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1-methylindol-5-yl]acetamide
CID 162643078
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 44597166
1-[4-[1-ethyl-4-[2-[(2-hydroxyethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46237140
N-{4-[1-(2-Hydroxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N''-phenylurea
CID 46888641
2-(4-(1-(Pyrazolo[1,5-a]pyridin-5-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
CID 53262518
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68289397
2-[4-[3-[(1S)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68353991
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-hydroxyethyl)indol-5-yl]acetamide
CID 70690637

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233038) is N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(CCO)c5)cc43)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is FGELHXDQPILSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c32-8-7-29-11-16(10-23-29)15-3-5-18-19(9-15)30(28-26-18)12-17-4-6-21-24-20(13-31(21)27-17)25-22(33)14-1-2-14/h3-6,9-11,13-14,32H,1-2,7-8,12H2,(H,25,33).
What are the key properties of N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 443.47 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).