(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol

C20H21N7O — CID 72715214

IUPAC(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](O)C3)n2)cn1
InChIInChI=1S/C20H21N7O/c1-2-26-12-15(11-22-26)17-8-18-14(9-21-17)10-23-27(18)20-5-3-4-19(24-20)25-7-6-16(28)13-25/h3-5,8-12,16,28H,2,6-7,13H2,1H3/t16-/m1/s1
InChIKeySYPBNOXLIVCNCJ-MRXNPFEDSA-N
MW375.44 g/mol
LogP2.27
Rot. Bonds4

About (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol

(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 72715214) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID72715214
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](O)C3)n2)cn1
InChIInChI=1S/C20H21N7O/c1-2-26-12-15(11-22-26)17-8-18-14(9-21-17)10-23-27(18)20-5-3-4-19(24-20)25-7-6-16(28)13-25/h3-5,8-12,16,28H,2,6-7,13H2,1H3/t16-/m1/s1
InChIKeySYPBNOXLIVCNCJ-MRXNPFEDSA-N
XLogP2.27
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 72715214) is (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol is CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](O)C3)n2)cn1.
What is the InChIKey of (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is SYPBNOXLIVCNCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-26-12-15(11-22-26)17-8-18-14(9-21-17)10-23-27(18)20-5-3-4-19(24-20)25-7-6-16(28)13-25/h3-5,8-12,16,28H,2,6-7,13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
(3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 375.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 72715214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).