8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide

C24H29N9O3 — CID 118253713

IUPAC8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC[C@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](C)O)c3)nc12
InChIInChI=1S/C24H29N9O3/c1-3-15-9-31(23(36)24(13-25)4-5-24)11-18(15)29-20-17(21(26)35)7-28-33-12-19(30-22(20)33)16-6-27-32(10-16)8-14(2)34/h6-7,10,12,14-15,18,29,34H,3-5,8-9,11H2,1-2H3,(H2,26,35)/t14-,15+,18-/m1/s1
InChIKeyKAFCPHJIWJZQDC-RVKKMQEKSA-N
MW491.56 g/mol
LogP1.03
Rot. Bonds8

About 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide

8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 118253713) has the molecular formula C24H29N9O3 and a molecular weight of 491.56 g/mol. Its IUPAC name is 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID118253713
Molecular FormulaC24H29N9O3
Molecular Weight491.56 g/mol
Exact Mass491.24
IUPAC Name8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC[C@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](C)O)c3)nc12
InChIInChI=1S/C24H29N9O3/c1-3-15-9-31(23(36)24(13-25)4-5-24)11-18(15)29-20-17(21(26)35)7-28-33-12-19(30-22(20)33)16-6-27-32(10-16)8-14(2)34/h6-7,10,12,14-15,18,29,34H,3-5,8-9,11H2,1-2H3,(H2,26,35)/t14-,15+,18-/m1/s1
InChIKeyKAFCPHJIWJZQDC-RVKKMQEKSA-N
XLogP1.03
TPSA167.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide (CID 118253713) is 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide is CC[C@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](C)O)c3)nc12.
What is the InChIKey of 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is KAFCPHJIWJZQDC-RVKKMQEKSA-N. The full InChI is InChI=1S/C24H29N9O3/c1-3-15-9-31(23(36)24(13-25)4-5-24)11-18(15)29-20-17(21(26)35)7-28-33-12-19(30-22(20)33)16-6-27-32(10-16)8-14(2)34/h6-7,10,12,14-15,18,29,34H,3-5,8-9,11H2,1-2H3,(H2,26,35)/t14-,15+,18-/m1/s1.
What are the key properties of 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?
8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 118253713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).