6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C18H22N6O — CID 25182910

IUPAC6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C18H22N6O/c1-3-7-24(8-4-2)17-10-16(19-12-20-17)18(25)22-14-5-6-15-13(9-14)11-21-23-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyHEOCCRUCQYASRO-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.23
Rot. Bonds7

About 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182910) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182910
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C18H22N6O/c1-3-7-24(8-4-2)17-10-16(19-12-20-17)18(25)22-14-5-6-15-13(9-14)11-21-23-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyHEOCCRUCQYASRO-UHFFFAOYSA-N
XLogP3.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182910) is 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is HEOCCRUCQYASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-7-24(8-4-2)17-10-16(19-12-20-17)18(25)22-14-5-6-15-13(9-14)11-21-23-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).