N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide

C17H25N7O — CID 97413527

IUPACN,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(C(=O)N(C)C)CC2
InChIInChI=1S/C17H25N7O/c1-12(2)24-15-11-23(17(25)22(3)4)9-6-13(15)14(21-24)10-20-16-18-7-5-8-19-16/h5,7-8,12H,6,9-11H2,1-4H3,(H,18,19,20)
InChIKeyINCHGINTWHGVNI-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.91
Rot. Bonds4

About N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide

N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide (PubChem CID 97413527) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
PubChem CID97413527
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(C(=O)N(C)C)CC2
InChIInChI=1S/C17H25N7O/c1-12(2)24-15-11-23(17(25)22(3)4)9-6-13(15)14(21-24)10-20-16-18-7-5-8-19-16/h5,7-8,12H,6,9-11H2,1-4H3,(H,18,19,20)
InChIKeyINCHGINTWHGVNI-UHFFFAOYSA-N
XLogP1.91
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The IUPAC name of N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide (CID 97413527) is N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide is CC(C)n1nc(CNc2ncccn2)c2c1CN(C(=O)N(C)C)CC2.
What is the InChIKey of N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The InChIKey is INCHGINTWHGVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(2)24-15-11-23(17(25)22(3)4)9-6-13(15)14(21-24)10-20-16-18-7-5-8-19-16/h5,7-8,12H,6,9-11H2,1-4H3,(H,18,19,20).
What are the key properties of N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-yl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 97413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).