[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C24H30FN5O4 — CID 169142050

IUPAC[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2COC(c3cc(NC(=O)N4CCC(Cc5ccccc5F)C4)n[nH]3)C2)CC1
InChIInChI=1S/C24H30FN5O4/c1-24(7-8-24)27-23(32)34-17-11-20(33-14-17)19-12-21(29-28-19)26-22(31)30-9-6-15(13-30)10-16-4-2-3-5-18(16)25/h2-5,12,15,17,20H,6-11,13-14H2,1H3,(H,27,32)(H2,26,28,29,31)
InChIKeyIIUFAFHDYAZRAP-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.75
Rot. Bonds6

About [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142050) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142050
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2COC(c3cc(NC(=O)N4CCC(Cc5ccccc5F)C4)n[nH]3)C2)CC1
InChIInChI=1S/C24H30FN5O4/c1-24(7-8-24)27-23(32)34-17-11-20(33-14-17)19-12-21(29-28-19)26-22(31)30-9-6-15(13-30)10-16-4-2-3-5-18(16)25/h2-5,12,15,17,20H,6-11,13-14H2,1H3,(H,27,32)(H2,26,28,29,31)
InChIKeyIIUFAFHDYAZRAP-UHFFFAOYSA-N
XLogP3.75
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[5-(phenylmethoxymethyl)-1H-pyrazol-3-yl]urea
CID 156252345
[5-[3-[(6-fluoro-1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169140894
[(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141160
[(3S,5S)-5-[3-[[(3S)-1-(2-fluorophenyl)pyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141641
[(3S,5S)-5-[3-[[(3R)-6-fluoro-1,2,3,4-tetrahydroquinoline-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141892
[(3S,5S)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169143520
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070922
[(3R,5R)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070923
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-[(3S)-3-methyloxolan-3-yl]carbamate
CID 170070985
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-[(3R)-3-methyloxolan-3-yl]carbamate
CID 170070986
[(3R,5R)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-[(3S)-3-methyloxolan-3-yl]carbamate
CID 170070988
[(3R,5R)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-[(3R)-3-methyloxolan-3-yl]carbamate
CID 170070990

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169142050) is [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OC2COC(c3cc(NC(=O)N4CCC(Cc5ccccc5F)C4)n[nH]3)C2)CC1.
What is the InChIKey of [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is IIUFAFHDYAZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-24(7-8-24)27-23(32)34-17-11-20(33-14-17)19-12-21(29-28-19)26-22(31)30-9-6-15(13-30)10-16-4-2-3-5-18(16)25/h2-5,12,15,17,20H,6-11,13-14H2,1H3,(H,27,32)(H2,26,28,29,31).
What are the key properties of [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 471.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[[3-[(2-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).