[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

C22H33N7O3 — CID 162369148

IUPAC[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)Cc3ccc4nc(C)cn4n3)NN2)C1
InChIInChI=1S/C22H33N7O3/c1-4-13(2)24-22(31)32-17-7-5-15(9-17)18-11-19(27-26-18)25-21(30)10-16-6-8-20-23-14(3)12-29(20)28-16/h6,8,12-13,15,17-19,26-27H,4-5,7,9-11H2,1-3H3,(H,24,31)(H,25,30)/t13-,15-,17+,18?,19?/m0/s1
InChIKeyGSERJRWDFTWRLP-FPGFNSNBSA-N
MW443.55 g/mol
LogP1.58
Rot. Bonds7

About [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (PubChem CID 162369148) has the molecular formula C22H33N7O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
PubChem CID162369148
Molecular FormulaC22H33N7O3
Molecular Weight443.55 g/mol
Exact Mass443.26
IUPAC Name[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)Cc3ccc4nc(C)cn4n3)NN2)C1
InChIInChI=1S/C22H33N7O3/c1-4-13(2)24-22(31)32-17-7-5-15(9-17)18-11-19(27-26-18)25-21(30)10-16-6-8-20-23-14(3)12-29(20)28-16/h6,8,12-13,15,17-19,26-27H,4-5,7,9-11H2,1-3H3,(H,24,31)(H,25,30)/t13-,15-,17+,18?,19?/m0/s1
InChIKeyGSERJRWDFTWRLP-FPGFNSNBSA-N
XLogP1.58
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

US11014911, Example 46
CID 162369147
US11014911, Example 354
CID 154616521
US11014911, Example 191
CID 154616830
US11014911, Example 357
CID 154616890
[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 171346803
[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 164880074
[(1R,3S)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 164880298
[(1R,3S)-3-[5-[[6-(3-aminopropylcarbamoyl)-3-fluoro-2-pyridinyl]amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] imidazole-1-carboxylate
CID 167230575
[(1R,3S)-3-[1-tert-butyl-5-[[3-fluoro-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]-2-pyridinyl]amino]pyrazol-3-yl]cyclopentyl] imidazole-1-carboxylate
CID 167230578
[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293747
[3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293970
[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169140893

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (CID 162369148) is [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)Cc3ccc4nc(C)cn4n3)NN2)C1.
What is the InChIKey of [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The InChIKey is GSERJRWDFTWRLP-FPGFNSNBSA-N. The full InChI is InChI=1S/C22H33N7O3/c1-4-13(2)24-22(31)32-17-7-5-15(9-17)18-11-19(27-26-18)25-21(30)10-16-6-8-20-23-14(3)12-29(20)28-16/h6,8,12-13,15,17-19,26-27H,4-5,7,9-11H2,1-3H3,(H,24,31)(H,25,30)/t13-,15-,17+,18?,19?/m0/s1.
What are the key properties of [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
[(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate has a molecular weight of 443.55 g/mol, XLogP of 1.58, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[5-[[2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is sourced from PubChem (CID 162369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).