[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C20H27FN6O4 — CID 169141951

IUPAC[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3C[C@@H](F)[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H27FN6O4/c1-20(4-5-20)23-19(29)31-16-7-11(6-13(16)21)14-9-17(25-24-14)22-18(28)15-8-12(10-30-3)26-27(15)2/h8-9,11,13,16H,4-7,10H2,1-3H3,(H,23,29)(H2,22,24,25,28)/t11-,13-,16-/m1/s1
InChIKeyDKIRQKRCLDFLHM-AXAPSJFSSA-N
MW434.47 g/mol
LogP2.40
Rot. Bonds7

About [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141951) has the molecular formula C20H27FN6O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141951
Molecular FormulaC20H27FN6O4
Molecular Weight434.47 g/mol
Exact Mass434.21
IUPAC Name[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3C[C@@H](F)[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H27FN6O4/c1-20(4-5-20)23-19(29)31-16-7-11(6-13(16)21)14-9-17(25-24-14)22-18(28)15-8-12(10-30-3)26-27(15)2/h8-9,11,13,16H,4-7,10H2,1-3H3,(H,23,29)(H2,22,24,25,28)/t11-,13-,16-/m1/s1
InChIKeyDKIRQKRCLDFLHM-AXAPSJFSSA-N
XLogP2.40
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169141951) is [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cc(C(=O)Nc2cc([C@@H]3C[C@@H](F)[C@H](OC(=O)NC4(C)CC4)C3)[nH]n2)n(C)n1.
What is the InChIKey of [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is DKIRQKRCLDFLHM-AXAPSJFSSA-N. The full InChI is InChI=1S/C20H27FN6O4/c1-20(4-5-20)23-19(29)31-16-7-11(6-13(16)21)14-9-17(25-24-14)22-18(28)15-8-12(10-30-3)26-27(15)2/h8-9,11,13,16H,4-7,10H2,1-3H3,(H,23,29)(H2,22,24,25,28)/t11-,13-,16-/m1/s1.
What are the key properties of [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 434.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).