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

C18H16F2N6 — CID 134328127

IUPAC1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F
InChIInChI=1S/C18H16F2N6/c1-21-6-10-3-4-13(19)16(17(10)20)14-5-12-15(8-22-14)24-25-18(12)11-7-23-26(2)9-11/h3-5,7-9,21H,6H2,1-2H3,(H,24,25)
InChIKeyYHNAXOGJDUGMSI-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.02
Rot. Bonds4

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

1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 134328127) has the molecular formula C18H16F2N6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID134328127
Molecular FormulaC18H16F2N6
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F
InChIInChI=1S/C18H16F2N6/c1-21-6-10-3-4-13(19)16(17(10)20)14-5-12-15(8-22-14)24-25-18(12)11-7-23-26(2)9-11/h3-5,7-9,21H,6H2,1-2H3,(H,24,25)
InChIKeyYHNAXOGJDUGMSI-UHFFFAOYSA-N
XLogP3.02
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 134328127) is 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F.
What is the InChIKey of 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is YHNAXOGJDUGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6/c1-21-6-10-3-4-13(19)16(17(10)20)14-5-12-15(8-22-14)24-25-18(12)11-7-23-26(2)9-11/h3-5,7-9,21H,6H2,1-2H3,(H,24,25).
What are the key properties of 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 354.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 134328127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).