N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N9O2 — CID 122515261

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCNC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C17H21N9O2/c1-25-9-12(14(24-25)15(18)27)22-17(28)11-8-20-26-6-4-13(23-16(11)26)21-10-3-2-5-19-7-10/h4,6,8-10,19H,2-3,5,7H2,1H3,(H2,18,27)(H,21,23)(H,22,28)
InChIKeyMLYDVDOBZNNGCB-UHFFFAOYSA-N
MW383.42 g/mol
LogP-0.02
Rot. Bonds5

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515261) has the molecular formula C17H21N9O2 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515261
Molecular FormulaC17H21N9O2
Molecular Weight383.42 g/mol
Exact Mass383.18
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCNC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C17H21N9O2/c1-25-9-12(14(24-25)15(18)27)22-17(28)11-8-20-26-6-4-13(23-16(11)26)21-10-3-2-5-19-7-10/h4,6,8-10,19H,2-3,5,7H2,1H3,(H2,18,27)(H,21,23)(H,22,28)
InChIKeyMLYDVDOBZNNGCB-UHFFFAOYSA-N
XLogP-0.02
TPSA144.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515261) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCNC4)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MLYDVDOBZNNGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O2/c1-25-9-12(14(24-25)15(18)27)22-17(28)11-8-20-26-6-4-13(23-16(11)26)21-10-3-2-5-19-7-10/h4,6,8-10,19H,2-3,5,7H2,1H3,(H2,18,27)(H,21,23)(H,22,28).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).