[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C21H27N5O2 — CID 66829120

IUPAC[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(C(C)C)c3)c12
InChIInChI=1S/C21H27N5O2/c1-13(2)26-12-15(11-17(26)21(27)25-9-5-6-10-25)19-18-16(23-24-19)7-8-22-20(18)28-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,23,24)
InChIKeyLKSXHPJWGLAORP-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.03
Rot. Bonds5

About [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 66829120) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID66829120
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(C(C)C)c3)c12
InChIInChI=1S/C21H27N5O2/c1-13(2)26-12-15(11-17(26)21(27)25-9-5-6-10-25)19-18-16(23-24-19)7-8-22-20(18)28-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,23,24)
InChIKeyLKSXHPJWGLAORP-UHFFFAOYSA-N
XLogP4.03
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 66829120) is [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone is CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(C(C)C)c3)c12.
What is the InChIKey of [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LKSXHPJWGLAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)26-12-15(11-17(26)21(27)25-9-5-6-10-25)19-18-16(23-24-19)7-8-22-20(18)28-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,23,24).
What are the key properties of [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 381.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66829120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).