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

C20H18F2N6 — CID 134327730

IUPACN-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)ccc(CNC5CC5)c4F)cc23)cn1
InChIInChI=1S/C20H18F2N6/c1-28-10-12(8-25-28)20-14-6-16(24-9-17(14)26-27-20)18-15(21)5-2-11(19(18)22)7-23-13-3-4-13/h2,5-6,8-10,13,23H,3-4,7H2,1H3,(H,26,27)
InChIKeyWJOUACVAKCKCJL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.56
Rot. Bonds5

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

N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine (PubChem CID 134327730) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine
PubChem CID134327730
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC NameN-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)ccc(CNC5CC5)c4F)cc23)cn1
InChIInChI=1S/C20H18F2N6/c1-28-10-12(8-25-28)20-14-6-16(24-9-17(14)26-27-20)18-15(21)5-2-11(19(18)22)7-23-13-3-4-13/h2,5-6,8-10,13,23H,3-4,7H2,1H3,(H,26,27)
InChIKeyWJOUACVAKCKCJL-UHFFFAOYSA-N
XLogP3.56
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine (CID 134327730) is N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine is Cn1cc(-c2n[nH]c3cnc(-c4c(F)ccc(CNC5CC5)c4F)cc23)cn1.
What is the InChIKey of N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is WJOUACVAKCKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c1-28-10-12(8-25-28)20-14-6-16(24-9-17(14)26-27-20)18-15(21)5-2-11(19(18)22)7-23-13-3-4-13/h2,5-6,8-10,13,23H,3-4,7H2,1H3,(H,26,27).
What are the key properties of N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine?
N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 380.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 134327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).