N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide

C23H23F2N7O — CID 134327733

IUPACN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1)N1CCCC1
InChIInChI=1S/C23H23F2N7O/c1-13(32-5-3-4-6-32)23(33)28-15-7-17(24)21(18(25)8-15)19-9-16-20(11-26-19)29-30-22(16)14-10-27-31(2)12-14/h7-13H,3-6H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyWIEPDSAYJJKNIR-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.73
Rot. Bonds5

About N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide

N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 134327733) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID134327733
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1)N1CCCC1
InChIInChI=1S/C23H23F2N7O/c1-13(32-5-3-4-6-32)23(33)28-15-7-17(24)21(18(25)8-15)19-9-16-20(11-26-19)29-30-22(16)14-10-27-31(2)12-14/h7-13H,3-6H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyWIEPDSAYJJKNIR-UHFFFAOYSA-N
XLogP3.73
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide (CID 134327733) is N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1)N1CCCC1.
What is the InChIKey of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is WIEPDSAYJJKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-13(32-5-3-4-6-32)23(33)28-15-7-17(24)21(18(25)8-15)19-9-16-20(11-26-19)29-30-22(16)14-10-27-31(2)12-14/h7-13H,3-6H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide?
N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 451.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 134327733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).