N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

C16H18N8 — CID 97405028

IUPACN-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCn1nc(CNc2ncccn2)c2c1CN(c1cnccn1)CC2
InChIInChI=1S/C16H18N8/c1-23-14-11-24(15-10-17-6-7-18-15)8-3-12(14)13(22-23)9-21-16-19-4-2-5-20-16/h2,4-7,10H,3,8-9,11H2,1H3,(H,19,20,21)
InChIKeyNLLVVSUGDOJMAZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.17
Rot. Bonds4

About N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 97405028) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
PubChem CID97405028
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCn1nc(CNc2ncccn2)c2c1CN(c1cnccn1)CC2
InChIInChI=1S/C16H18N8/c1-23-14-11-24(15-10-17-6-7-18-15)8-3-12(14)13(22-23)9-21-16-19-4-2-5-20-16/h2,4-7,10H,3,8-9,11H2,1H3,(H,19,20,21)
InChIKeyNLLVVSUGDOJMAZ-UHFFFAOYSA-N
XLogP1.17
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (CID 97405028) is N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is Cn1nc(CNc2ncccn2)c2c1CN(c1cnccn1)CC2.
What is the InChIKey of N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is NLLVVSUGDOJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-23-14-11-24(15-10-17-6-7-18-15)8-3-12(14)13(22-23)9-21-16-19-4-2-5-20-16/h2,4-7,10H,3,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 322.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-pyrazin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).