N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide

C18H22N6O — CID 25182917

IUPACN-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide
SMILESCCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C
InChIInChI=1S/C18H22N6O/c1-4-7-24(12(2)3)17-9-16(19-11-20-17)18(25)22-14-5-6-15-13(8-14)10-21-23-15/h5-6,8-12H,4,7H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyKXAJDOPPZOVANF-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.23
Rot. Bonds6

About N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide

N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide (PubChem CID 25182917) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide
PubChem CID25182917
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide
SMILESCCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C
InChIInChI=1S/C18H22N6O/c1-4-7-24(12(2)3)17-9-16(19-11-20-17)18(25)22-14-5-6-15-13(8-14)10-21-23-15/h5-6,8-12H,4,7H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyKXAJDOPPZOVANF-UHFFFAOYSA-N
XLogP3.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide (CID 25182917) is N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide is CCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C.
What is the InChIKey of N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide?
The InChIKey is KXAJDOPPZOVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-7-24(12(2)3)17-9-16(19-11-20-17)18(25)22-14-5-6-15-13(8-14)10-21-23-15/h5-6,8-12H,4,7H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide?
N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).