(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C22H23N5O2 — CID 147476344

IUPAC(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C22H23N5O2/c1-13(14-4-6-17(28)9-14)29-22-18-12-26(2)25-20(18)10-19(24-22)15-5-7-21-16(8-15)11-23-27(21)3/h5,7-8,10-14H,4,6,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyFCTOKVVHMQZRRD-KGLIPLIRSA-N
MW389.46 g/mol
LogP3.66
Rot. Bonds4

About (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 147476344) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID147476344
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C22H23N5O2/c1-13(14-4-6-17(28)9-14)29-22-18-12-26(2)25-20(18)10-19(24-22)15-5-7-21-16(8-15)11-23-27(21)3/h5,7-8,10-14H,4,6,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyFCTOKVVHMQZRRD-KGLIPLIRSA-N
XLogP3.66
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
US9914735, Example 10
CID 118386426
3-(1-methylindazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66825285
US9914735, Example 60
CID 118401285
US9914735, Example 51
CID 118401290
US9914735, Example 15
CID 118401303
US9914735, Example 61
CID 122498425
US10947243, Example 83
CID 134336016
4-Ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
CID 175944907
US9914735, Example 82
CID 118386408
US9914735, Example 50
CID 118386418
US9914735, Example 3
CID 118386419

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 147476344) is (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1nc(-c2ccc3c(cnn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is FCTOKVVHMQZRRD-KGLIPLIRSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(14-4-6-17(28)9-14)29-22-18-12-26(2)25-20(18)10-19(24-22)15-5-7-21-16(8-15)11-23-27(21)3/h5,7-8,10-14H,4,6,9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 389.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[2-methyl-6-(1-methylindazol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 147476344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).