(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C66H81N13O8 — CID 159550318

IUPAC(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc1OC.C[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C23H27N3O3.C22H27N5O3.C21H27N5O2/c1-5-15-6-7-17(11-22(15)28-4)20-12-21-19(13-26(3)25-21)23(24-20)29-14(2)16-8-9-18(27)10-16;1-14(15-6-7-17(28)9-15)30-22-18-13-26(2)25-20(18)10-19(24-22)16-11-23-27(12-16)21-5-3-4-8-29-21;1-13(14-6-7-16(27)8-14)28-20-17-12-25(5)24-19(17)9-18(23-20)15-10-22-26(11-15)21(2,3)4/h6-7,11-14,16H,5,8-10H2,1-4H3;10-15,21H,3-9H2,1-2H3;9-14H,6-8H2,1-5H3/t14-,16+;14-,15+,21?;13-,14+/m111/s1
InChIKeyMFHOYMPBTQBTHO-YVOUHRMPSA-N
MW1184.46 g/mol
LogP11.73
Rot. Bonds15

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 159550318) has the molecular formula C66H81N13O8 and a molecular weight of 1184.46 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID159550318
Molecular FormulaC66H81N13O8
Molecular Weight1184.46 g/mol
Exact Mass1183.63
IUPAC Name(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc1OC.C[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C23H27N3O3.C22H27N5O3.C21H27N5O2/c1-5-15-6-7-17(11-22(15)28-4)20-12-21-19(13-26(3)25-21)23(24-20)29-14(2)16-8-9-18(27)10-16;1-14(15-6-7-17(28)9-15)30-22-18-13-26(2)25-20(18)10-19(24-22)16-11-23-27(12-16)21-5-3-4-8-29-21;1-13(14-6-7-16(27)8-14)28-20-17-12-25(5)24-19(17)9-18(23-20)15-10-22-26(11-15)21(2,3)4/h6-7,11-14,16H,5,8-10H2,1-4H3;10-15,21H,3-9H2,1-2H3;9-14H,6-8H2,1-5H3/t14-,16+;14-,15+,21?;13-,14+/m111/s1
InChIKeyMFHOYMPBTQBTHO-YVOUHRMPSA-N
XLogP11.73
TPSA225.13 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms87
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.46
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 159550318) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is CCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc1OC.C[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is MFHOYMPBTQBTHO-YVOUHRMPSA-N. The full InChI is InChI=1S/C23H27N3O3.C22H27N5O3.C21H27N5O2/c1-5-15-6-7-17(11-22(15)28-4)20-12-21-19(13-26(3)25-21)23(24-20)29-14(2)16-8-9-18(27)10-16;1-14(15-6-7-17(28)9-15)30-22-18-13-26(2)25-20(18)10-19(24-22)16-11-23-27(12-16)21-5-3-4-8-29-21;1-13(14-6-7-16(27)8-14)28-20-17-12-25(5)24-19(17)9-18(23-20)15-10-22-26(11-15)21(2,3)4/h6-7,11-14,16H,5,8-10H2,1-4H3;10-15,21H,3-9H2,1-2H3;9-14H,6-8H2,1-5H3/t14-,16+;14-,15+,21?;13-,14+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1184.46 g/mol, XLogP of 11.73, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(4-ethyl-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 159550318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).