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

C21H26N6O3 — CID 154616830

IUPAC[(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4ccccc4n3)n[nH]2)C1
InChIInChI=1S/C21H26N6O3/c1-2-8-22-21(29)30-16-7-6-14(10-16)17-12-18(26-25-17)24-20(28)11-15-13-27-9-4-3-5-19(27)23-15/h3-5,9,12-14,16H,2,6-8,10-11H2,1H3,(H,22,29)(H2,24,25,26,28)/t14-,16+/m1/s1
InChIKeyKJWAGYNJWUIQLZ-ZBFHGGJFSA-N
MW410.48 g/mol
LogP3.01
Rot. Bonds7

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

[(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616830) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID154616830
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name[(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4ccccc4n3)n[nH]2)C1
InChIInChI=1S/C21H26N6O3/c1-2-8-22-21(29)30-16-7-6-14(10-16)17-12-18(26-25-17)24-20(28)11-15-13-27-9-4-3-5-19(27)23-15/h3-5,9,12-14,16H,2,6-8,10-11H2,1H3,(H,22,29)(H2,24,25,26,28)/t14-,16+/m1/s1
InChIKeyKJWAGYNJWUIQLZ-ZBFHGGJFSA-N
XLogP3.01
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

US11014911, Example 137
CID 154616477
US11014911, Example 141
CID 154616618
US11014911, Example 39
CID 155040538
US11014911, Example 46
CID 162369147
US11014911, Example 47
CID 162369148
(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate
CID 166625091
(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione
CID 167230388
US11014911, Example 354
CID 154616521
US11014911, Example 329
CID 154616694
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
tert-butyl 3-fluoro-3-[[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 129285495

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616830) is [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4ccccc4n3)n[nH]2)C1.
What is the InChIKey of [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is KJWAGYNJWUIQLZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-2-8-22-21(29)30-16-7-6-14(10-16)17-12-18(26-25-17)24-20(28)11-15-13-27-9-4-3-5-19(27)23-15/h3-5,9,12-14,16H,2,6-8,10-11H2,1H3,(H,22,29)(H2,24,25,26,28)/t14-,16+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 410.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).