[(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

C24H32N6O4 — CID 169143445

IUPAC[(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
SMILESC[C@@H](Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)[nH]n1)C(=O)N1CC[C@@H](c2cccnc2)C1
InChIInChI=1S/C24H32N6O4/c1-15(22(31)30-9-5-17(13-30)16-4-3-8-25-12-16)26-21-11-19(28-29-21)20-10-18(14-33-20)34-23(32)27-24(2)6-7-24/h3-4,8,11-12,15,17-18,20H,5-7,9-10,13-14H2,1-2H3,(H,27,32)(H2,26,28,29)/t15-,17-,18-,20-/m1/s1
InChIKeyDYPAUHWTSXKEPW-DLVXIWMQSA-N
MW468.56 g/mol
LogP2.73
Rot. Bonds7

About [(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

[(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 (PubChem CID 169143445) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID169143445
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name[(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
SMILESC[C@@H](Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)[nH]n1)C(=O)N1CC[C@@H](c2cccnc2)C1
InChIInChI=1S/C24H32N6O4/c1-15(22(31)30-9-5-17(13-30)16-4-3-8-25-12-16)26-21-11-19(28-29-21)20-10-18(14-33-20)34-23(32)27-24(2)6-7-24/h3-4,8,11-12,15,17-18,20H,5-7,9-10,13-14H2,1-2H3,(H,27,32)(H2,26,28,29)/t15-,17-,18-,20-/m1/s1
InChIKeyDYPAUHWTSXKEPW-DLVXIWMQSA-N
XLogP2.73
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@@H](Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)[nH]n1)C(=O)N1CC[C@@H](c2cccnc2)C1.
What is the InChIKey of [(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?
The InChIKey is DYPAUHWTSXKEPW-DLVXIWMQSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-15(22(31)30-9-5-17(13-30)16-4-3-8-25-12-16)26-21-11-19(28-29-21)20-10-18(14-33-20)34-23(32)27-24(2)6-7-24/h3-4,8,11-12,15,17-18,20H,5-7,9-10,13-14H2,1-2H3,(H,27,32)(H2,26,28,29)/t15-,17-,18-,20-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 468.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 169143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).