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

C20H22N6O2 — CID 10045203

IUPACN-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O2/c27-12-15-4-2-8-25(15)17-9-18(24-20(28)14-3-1-7-21-10-14)26-19(23-17)16(11-22-26)13-5-6-13/h1,3,7,9-11,13,15,27H,2,4-6,8,12H2,(H,24,28)/t15-/m0/s1
InChIKeyKUEVJDPFHWZAID-HNNXBMFYSA-N
MW378.44 g/mol
LogP2.22
Rot. Bonds5

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

N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 10045203) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID10045203
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C20H22N6O2/c27-12-15-4-2-8-25(15)17-9-18(24-20(28)14-3-1-7-21-10-14)26-19(23-17)16(11-22-26)13-5-6-13/h1,3,7,9-11,13,15,27H,2,4-6,8,12H2,(H,24,28)/t15-/m0/s1
InChIKeyKUEVJDPFHWZAID-HNNXBMFYSA-N
XLogP2.22
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.22
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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 10045203) is N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(N2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is KUEVJDPFHWZAID-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-12-15-4-2-8-25(15)17-9-18(24-20(28)14-3-1-7-21-10-14)26-19(23-17)16(11-22-26)13-5-6-13/h1,3,7,9-11,13,15,27H,2,4-6,8,12H2,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.22, 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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10045203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).