[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C19H27N5O5 — CID 170106279

IUPAC[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CO[C@H](c3cc(NC(=O)[C@H]4CC[C@@H](C(N)=O)C4)n[nH]3)C2)CC1
InChIInChI=1S/C19H27N5O5/c1-19(4-5-19)22-18(27)29-12-7-14(28-9-12)13-8-15(24-23-13)21-17(26)11-3-2-10(6-11)16(20)25/h8,10-12,14H,2-7,9H2,1H3,(H2,20,25)(H,22,27)(H2,21,23,24,26)/t10-,11+,12+,14+/m1/s1
InChIKeyRMDBEYHENDKYPI-UHXUPSOCSA-N
MW405.46 g/mol
LogP1.36
Rot. Bonds6

About [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170106279) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID170106279
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CO[C@H](c3cc(NC(=O)[C@H]4CC[C@@H](C(N)=O)C4)n[nH]3)C2)CC1
InChIInChI=1S/C19H27N5O5/c1-19(4-5-19)22-18(27)29-12-7-14(28-9-12)13-8-15(24-23-13)21-17(26)11-3-2-10(6-11)16(20)25/h8,10-12,14H,2-7,9H2,1H3,(H2,20,25)(H,22,27)(H2,21,23,24,26)/t10-,11+,12+,14+/m1/s1
InChIKeyRMDBEYHENDKYPI-UHXUPSOCSA-N
XLogP1.36
TPSA148.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
CID 170071305
[(3R,5R)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-methyloxetan-3-yl)carbamate
CID 170075803
[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141945
[(3S,5S)-5-[3-[[(3R)-3-anilinopyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142792
[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141013
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879613
[(3R,5R)-5-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamate
CID 170071239
(1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 175931394
[(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141710
[(3R,5R)-5-[3-[[(2R)-1-oxo-1-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]propan-2-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169143445
[5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142711
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070922

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 170106279) is [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CO[C@H](c3cc(NC(=O)[C@H]4CC[C@@H](C(N)=O)C4)n[nH]3)C2)CC1.
What is the InChIKey of [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is RMDBEYHENDKYPI-UHXUPSOCSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-19(4-5-19)22-18(27)29-12-7-14(28-9-12)13-8-15(24-23-13)21-17(26)11-3-2-10(6-11)16(20)25/h8,10-12,14H,2-7,9H2,1H3,(H2,20,25)(H,22,27)(H2,21,23,24,26)/t10-,11+,12+,14+/m1/s1.
What are the key properties of [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 405.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170106279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).