[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H28N6O5S — CID 176875005

IUPAC[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOc1nc(Nc2cc(C3CCC(OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O
InChIInChI=1S/C19H28N6O5S/c1-11(2)20-19(26)30-13-6-5-12(9-13)15-10-17(24-23-15)21-16-8-7-14(18(22-16)29-3)25-31(4,27)28/h7-8,10-13,25H,5-6,9H2,1-4H3,(H,20,26)(H2,21,22,23,24)
InChIKeyQPVJPLAQQDSBQJ-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.70
Rot. Bonds8

About [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 176875005) has the molecular formula C19H28N6O5S and a molecular weight of 452.54 g/mol. Its IUPAC name is [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID176875005
Molecular FormulaC19H28N6O5S
Molecular Weight452.54 g/mol
Exact Mass452.18
IUPAC Name[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOc1nc(Nc2cc(C3CCC(OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O
InChIInChI=1S/C19H28N6O5S/c1-11(2)20-19(26)30-13-6-5-12(9-13)15-10-17(24-23-15)21-16-8-7-14(18(22-16)29-3)25-31(4,27)28/h7-8,10-13,25H,5-6,9H2,1-4H3,(H,20,26)(H2,21,22,23,24)
InChIKeyQPVJPLAQQDSBQJ-UHFFFAOYSA-N
XLogP2.70
TPSA147.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 170623830
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[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1S,3R)-3-[3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 176875005) is [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is COc1nc(Nc2cc(C3CCC(OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O.
What is the InChIKey of [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is QPVJPLAQQDSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O5S/c1-11(2)20-19(26)30-13-6-5-12(9-13)15-10-17(24-23-15)21-16-8-7-14(18(22-16)29-3)25-31(4,27)28/h7-8,10-13,25H,5-6,9H2,1-4H3,(H,20,26)(H2,21,22,23,24).
What are the key properties of [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 452.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 176875005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).