7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22N6O2 — CID 16743446

IUPAC7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1Nc1nn2c(NCC3CC3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-7-8-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-3-4-6-14(13)27-2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H2,20,26)(H,23,24)
InChIKeyHVLGHCFWLKMYKY-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.71
Rot. Bonds7

About 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16743446) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16743446
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1Nc1nn2c(NCC3CC3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-7-8-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-3-4-6-14(13)27-2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H2,20,26)(H,23,24)
InChIKeyHVLGHCFWLKMYKY-UHFFFAOYSA-N
XLogP2.71
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16743446) is 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1Nc1nn2c(NCC3CC3)cc(C)nc2c1C(N)=O.
What is the InChIKey of 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HVLGHCFWLKMYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-7-8-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-3-4-6-14(13)27-2/h3-6,9,12,21H,7-8,10H2,1-2H3,(H2,20,26)(H,23,24).
What are the key properties of 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethylamino)-2-(2-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16743446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).