N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N8O2 — CID 66556459

IUPACN-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C20H20N8O2/c1-13-3-4-17(23-10-13)28-18(9-15(26-28)16-12-30-8-6-21-16)25-20(29)14-11-24-27-7-2-5-22-19(14)27/h2-5,7,9-11,16,21H,6,8,12H2,1H3,(H,25,29)
InChIKeyNGSVAPPFGUGVBL-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.53
Rot. Bonds4

About N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556459) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556459
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C20H20N8O2/c1-13-3-4-17(23-10-13)28-18(9-15(26-28)16-12-30-8-6-21-16)25-20(29)14-11-24-27-7-2-5-22-19(14)27/h2-5,7,9-11,16,21H,6,8,12H2,1H3,(H,25,29)
InChIKeyNGSVAPPFGUGVBL-UHFFFAOYSA-N
XLogP1.53
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Azd-7648
CID 135151360
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
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604308
US10774086, Example 17
CID 134551553
US10774086, Example 18
CID 134551945
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441478
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441496
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441521
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441576
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449249

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556459) is N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NGSVAPPFGUGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-13-3-4-17(23-10-13)28-18(9-15(26-28)16-12-30-8-6-21-16)25-20(29)14-11-24-27-7-2-5-22-19(14)27/h2-5,7,9-11,16,21H,6,8,12H2,1H3,(H,25,29).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).