N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19N5O2 — CID 136555676

IUPACN-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn3ccc(C)nc23)C2CC2)cn1
InChIInChI=1S/C18H19N5O2/c1-11-7-8-23-17(21-11)14(10-20-23)18(24)22-16(12-3-4-12)13-5-6-15(25-2)19-9-13/h5-10,12,16H,3-4H2,1-2H3,(H,22,24)
InChIKeyFNAMTJBQELVCLD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.32
Rot. Bonds5

About N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136555676) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136555676
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn3ccc(C)nc23)C2CC2)cn1
InChIInChI=1S/C18H19N5O2/c1-11-7-8-23-17(21-11)14(10-20-23)18(24)22-16(12-3-4-12)13-5-6-15(25-2)19-9-13/h5-10,12,16H,3-4H2,1-2H3,(H,22,24)
InChIKeyFNAMTJBQELVCLD-UHFFFAOYSA-N
XLogP2.32
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136555676) is N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C(NC(=O)c2cnn3ccc(C)nc23)C2CC2)cn1.
What is the InChIKey of N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FNAMTJBQELVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-7-8-23-17(21-11)14(10-20-23)18(24)22-16(12-3-4-12)13-5-6-15(25-2)19-9-13/h5-10,12,16H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136555676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).