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

C22H21F2N7O — CID 134327715

IUPACN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5CCCC5)cc4F)cc23)cn1
InChIInChI=1S/C22H21F2N7O/c1-30-11-13(9-26-30)22-15-8-18(25-10-19(15)28-29-22)21-16(23)6-14(7-17(21)24)27-20(32)12-31-4-2-3-5-31/h6-11H,2-5,12H2,1H3,(H,27,32)(H,28,29)
InChIKeyOWJGBQONADRTLQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.34
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-ylacetamide

N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 134327715) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 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-ylacetamide.

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-ylacetamide
PubChem CID134327715
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC NameN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5CCCC5)cc4F)cc23)cn1
InChIInChI=1S/C22H21F2N7O/c1-30-11-13(9-26-30)22-15-8-18(25-10-19(15)28-29-22)21-16(23)6-14(7-17(21)24)27-20(32)12-31-4-2-3-5-31/h6-11H,2-5,12H2,1H3,(H,27,32)(H,28,29)
InChIKeyOWJGBQONADRTLQ-UHFFFAOYSA-N
XLogP3.34
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.34
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-ylacetamide?
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-ylacetamide (CID 134327715) is N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylacetamide.
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-ylacetamide?
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-ylacetamide is Cn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5CCCC5)cc4F)cc23)cn1.
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-ylacetamide?
The InChIKey is OWJGBQONADRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-30-11-13(9-26-30)22-15-8-18(25-10-19(15)28-29-22)21-16(23)6-14(7-17(21)24)27-20(32)12-31-4-2-3-5-31/h6-11H,2-5,12H2,1H3,(H,27,32)(H,28,29).
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-ylacetamide?
N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 437.45 g/mol, XLogP of 3.34, 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-ylacetamide is sourced from PubChem (CID 134327715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).