[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

C21H27N7O3 — CID 154616521

IUPAC[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1
InChIInChI=1S/C21H27N7O3/c1-3-13(2)23-21(30)31-16-6-5-14(9-16)17-11-18(27-26-17)25-19(29)10-15-12-28-8-4-7-22-20(28)24-15/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H,23,30)(H2,25,26,27,29)/t13-,14-,16+/m0/s1
InChIKeyGRDGTZWLVWALHM-OFQRWUPVSA-N
MW425.49 g/mol
LogP2.79
Rot. Bonds7

About [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (PubChem CID 154616521) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
PubChem CID154616521
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1
InChIInChI=1S/C21H27N7O3/c1-3-13(2)23-21(30)31-16-6-5-14(9-16)17-11-18(27-26-17)25-19(29)10-15-12-28-8-4-7-22-20(28)24-15/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H,23,30)(H2,25,26,27,29)/t13-,14-,16+/m0/s1
InChIKeyGRDGTZWLVWALHM-OFQRWUPVSA-N
XLogP2.79
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-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 367
CID 154616397
US11014911, Example 137
CID 154616477
US11014911, Example 359
CID 154616512
US11014911, Example 141
CID 154616618
US11014911, Example 321
CID 154616665
US11014911, Example 39
CID 155040538
US11014911, Example 46
CID 162369147
US11014911, Example 47
CID 162369148
US11014911, Example 200
CID 154616595
US11014911, Example 329
CID 154616694
US11014911, Example 260
CID 154616703
US11014911, Example 355
CID 154616729

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (CID 154616521) is [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The InChIKey is GRDGTZWLVWALHM-OFQRWUPVSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-3-13(2)23-21(30)31-16-6-5-14(9-16)17-11-18(27-26-17)25-19(29)10-15-12-28-8-4-7-22-20(28)24-15/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H,23,30)(H2,25,26,27,29)/t13-,14-,16+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
[(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is sourced from PubChem (CID 154616521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).