N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

C13H14N6 — CID 175839005

IUPACN-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILES[2H]c1cnc(Nc2cc3c(cn2)cnn3C(C)C)nc1
InChIInChI=1S/C13H14N6/c1-9(2)19-11-6-12(16-7-10(11)8-17-19)18-13-14-4-3-5-15-13/h3-9H,1-2H3,(H,14,15,16,18)/i3D
InChIKeySAOMYGXVDFVURN-WFVSFCRTSA-N
MW255.30 g/mol
LogP2.55
Rot. Bonds3

About N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 175839005) has the molecular formula C13H14N6 and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID175839005
Molecular FormulaC13H14N6
Molecular Weight255.30 g/mol
Exact Mass255.13
IUPAC NameN-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILES[2H]c1cnc(Nc2cc3c(cn2)cnn3C(C)C)nc1
InChIInChI=1S/C13H14N6/c1-9(2)19-11-6-12(16-7-10(11)8-17-19)18-13-14-4-3-5-15-13/h3-9H,1-2H3,(H,14,15,16,18)/i3D
InChIKeySAOMYGXVDFVURN-WFVSFCRTSA-N
XLogP2.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (CID 175839005) is N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is [2H]c1cnc(Nc2cc3c(cn2)cnn3C(C)C)nc1.
What is the InChIKey of N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is SAOMYGXVDFVURN-WFVSFCRTSA-N. The full InChI is InChI=1S/C13H14N6/c1-9(2)19-11-6-12(16-7-10(11)8-17-19)18-13-14-4-3-5-15-13/h3-9H,1-2H3,(H,14,15,16,18)/i3D.
What are the key properties of N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 255.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-deuteriopyrimidin-2-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 175839005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).