(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C24H25FN6O — CID 162661880

IUPAC(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC[C@H](N(C)C)C2)n1
InChIInChI=1S/C24H25FN6O/c1-29(2)17-10-11-30(15-17)22-8-5-9-23(28-22)31-20-12-19(26-13-16(20)14-27-31)24-18(25)6-4-7-21(24)32-3/h4-9,12-14,17H,10-11,15H2,1-3H3/t17-/m0/s1
InChIKeyCORINSIPRISQBV-KRWDZBQOSA-N
MW432.50 g/mol
LogP3.77
Rot. Bonds5

About (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 162661880) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID162661880
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC[C@H](N(C)C)C2)n1
InChIInChI=1S/C24H25FN6O/c1-29(2)17-10-11-30(15-17)22-8-5-9-23(28-22)31-20-12-19(26-13-16(20)14-27-31)24-18(25)6-4-7-21(24)32-3/h4-9,12-14,17H,10-11,15H2,1-3H3/t17-/m0/s1
InChIKeyCORINSIPRISQBV-KRWDZBQOSA-N
XLogP3.77
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 162661880) is (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC[C@H](N(C)C)C2)n1.
What is the InChIKey of (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CORINSIPRISQBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-29(2)17-10-11-30(15-17)22-8-5-9-23(28-22)31-20-12-19(26-13-16(20)14-27-31)24-18(25)6-4-7-21(24)32-3/h4-9,12-14,17H,10-11,15H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 432.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 162661880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).