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

C21H24N6O2 — CID 10000598

IUPACN-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(NC2(CO)CCCC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H24N6O2/c28-13-21(7-1-2-8-21)26-17-10-18(25-20(29)15-4-3-9-22-11-15)27-19(24-17)16(12-23-27)14-5-6-14/h3-4,9-12,14,28H,1-2,5-8,13H2,(H,24,26)(H,25,29)
InChIKeyAQBSZHMYYOYFBD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds6

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

N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 10000598) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID10000598
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(NC2(CO)CCCC2)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H24N6O2/c28-13-21(7-1-2-8-21)26-17-10-18(25-20(29)15-4-3-9-22-11-15)27-19(24-17)16(12-23-27)14-5-6-14/h3-4,9-12,14,28H,1-2,5-8,13H2,(H,24,26)(H,25,29)
InChIKeyAQBSZHMYYOYFBD-UHFFFAOYSA-N
XLogP2.97
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 10000598) is N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(NC2(CO)CCCC2)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is AQBSZHMYYOYFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-13-21(7-1-2-8-21)26-17-10-18(25-20(29)15-4-3-9-22-11-15)27-19(24-17)16(12-23-27)14-5-6-14/h3-4,9-12,14,28H,1-2,5-8,13H2,(H,24,26)(H,25,29).
What are the key properties of N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10000598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).