N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C21H24N6O2 — CID 10091912

IUPACN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H24N6O2/c28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29)
InChIKeySBSUIFALRGTIIC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds5

About N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 10091912) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID10091912
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H24N6O2/c28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29)
InChIKeySBSUIFALRGTIIC-UHFFFAOYSA-N
XLogP2.61
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 10091912) is N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is SBSUIFALRGTIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-13-16-5-1-2-9-26(16)18-10-19(25-21(29)15-4-3-8-22-11-15)27-20(24-18)17(12-23-27)14-6-7-14/h3-4,8,10-12,14,16,28H,1-2,5-7,9,13H2,(H,25,29).
What are the key properties of N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).