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

C19H28N6O — CID 97405077

IUPACN-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(C1CCOCC1)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)25-18-13-24(15-5-10-26-11-6-15)9-4-16(18)17(23-25)12-22-19-20-7-3-8-21-19/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,20,21,22)
InChIKeyYNVSLUHYKUVDBB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.40
Rot. Bonds5

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

N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 97405077) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
PubChem CID97405077
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(C1CCOCC1)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)25-18-13-24(15-5-10-26-11-6-15)9-4-16(18)17(23-25)12-22-19-20-7-3-8-21-19/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,20,21,22)
InChIKeyYNVSLUHYKUVDBB-UHFFFAOYSA-N
XLogP2.40
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine (CID 97405077) is N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine is CC(C)n1nc(CNc2ncccn2)c2c1CN(C1CCOCC1)CC2.
What is the InChIKey of N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is YNVSLUHYKUVDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)25-18-13-24(15-5-10-26-11-6-15)9-4-16(18)17(23-25)12-22-19-20-7-3-8-21-19/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine?
N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).