[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate

C19H27FN6O3 — CID 154616608

IUPAC[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
SMILESC[C@H](NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnn(C)c3)n[nH]2)C1)[C@@H](C)F
InChIInChI=1S/C19H27FN6O3/c1-11(20)12(2)22-19(28)29-15-5-4-14(7-15)16-8-17(25-24-16)23-18(27)6-13-9-21-26(3)10-13/h8-12,14-15H,4-7H2,1-3H3,(H,22,28)(H2,23,24,25,27)/t11-,12+,14+,15-/m1/s1
InChIKeyMUDDSKWHBWJWSV-PAPYEOQZSA-N
MW406.46 g/mol
LogP2.43
Rot. Bonds7

About [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate

[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate (PubChem CID 154616608) has the molecular formula C19H27FN6O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
PubChem CID154616608
Molecular FormulaC19H27FN6O3
Molecular Weight406.46 g/mol
Exact Mass406.21
IUPAC Name[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
SMILESC[C@H](NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnn(C)c3)n[nH]2)C1)[C@@H](C)F
InChIInChI=1S/C19H27FN6O3/c1-11(20)12(2)22-19(28)29-15-5-4-14(7-15)16-8-17(25-24-16)23-18(27)6-13-9-21-26(3)10-13/h8-12,14-15H,4-7H2,1-3H3,(H,22,28)(H2,23,24,25,27)/t11-,12+,14+,15-/m1/s1
InChIKeyMUDDSKWHBWJWSV-PAPYEOQZSA-N
XLogP2.43
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2R)-4,4,4-trifluorobutan-2-yl]carbamate
CID 154616540
[(2S,3R)-3-fluorobutan-2-yl]-[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamic acid
CID 155025570
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
CID 170075167
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170952374
[(1R,3S)-3-[3-[[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170070934
[(1R,3S)-3-[3-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616767
[(1S,3R)-3-[3-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076139
[(1R,3S)-3-[3-[[2-[5-(trifluoromethyl)pyrazin-2-yl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 154616614
[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616740
[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616812
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate (CID 154616608) is [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate is C[C@H](NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnn(C)c3)n[nH]2)C1)[C@@H](C)F.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate?
The InChIKey is MUDDSKWHBWJWSV-PAPYEOQZSA-N. The full InChI is InChI=1S/C19H27FN6O3/c1-11(20)12(2)22-19(28)29-15-5-4-14(7-15)16-8-17(25-24-16)23-18(27)6-13-9-21-26(3)10-13/h8-12,14-15H,4-7H2,1-3H3,(H,22,28)(H2,23,24,25,27)/t11-,12+,14+,15-/m1/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate?
[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate has a molecular weight of 406.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate is sourced from PubChem (CID 154616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).