N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18N6O — CID 122133688

IUPACN-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)c2n1
InChIInChI=1S/C19H18N6O/c1-12-8-9-25-18(21-12)15(11-20-25)19(26)22-14-5-6-16-13(10-14)4-7-17(23-16)24(2)3/h4-11H,1-3H3,(H,22,26)
InChIKeyTZHXRCLCGIWTPA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.90
Rot. Bonds3

About N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122133688) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122133688
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)c2n1
InChIInChI=1S/C19H18N6O/c1-12-8-9-25-18(21-12)15(11-20-25)19(26)22-14-5-6-16-13(10-14)4-7-17(23-16)24(2)3/h4-11H,1-3H3,(H,22,26)
InChIKeyTZHXRCLCGIWTPA-UHFFFAOYSA-N
XLogP2.90
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122133688) is N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)c2n1.
What is the InChIKey of N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TZHXRCLCGIWTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-8-9-25-18(21-12)15(11-20-25)19(26)22-14-5-6-16-13(10-14)4-7-17(23-16)24(2)3/h4-11H,1-3H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122133688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).