5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN6O2 — CID 67500067

IUPAC5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C20H23FN6O2/c1-13(12-29-2)24-20(28)16-11-23-27-7-5-18(25-19(16)27)26-6-3-4-17(26)14-8-15(21)10-22-9-14/h5,7-11,13,17H,3-4,6,12H2,1-2H3,(H,24,28)
InChIKeyPDPJLIBDEWXTAI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.37
Rot. Bonds6

About 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500067) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500067
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C20H23FN6O2/c1-13(12-29-2)24-20(28)16-11-23-27-7-5-18(25-19(16)27)26-6-3-4-17(26)14-8-15(21)10-22-9-14/h5,7-11,13,17H,3-4,6,12H2,1-2H3,(H,24,28)
InChIKeyPDPJLIBDEWXTAI-UHFFFAOYSA-N
XLogP2.37
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
Selitrectinib
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Tizaterkib
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1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
GSK-3|A inhibitor 13
CID 134551592
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500067) is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12.
What is the InChIKey of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PDPJLIBDEWXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13(12-29-2)24-20(28)16-11-23-27-7-5-18(25-19(16)27)26-6-3-4-17(26)14-8-15(21)10-22-9-14/h5,7-11,13,17H,3-4,6,12H2,1-2H3,(H,24,28).
What are the key properties of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).