N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide

C24H23F3N8O2 — CID 145179634

IUPACN-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N8O2/c1-15(36)29-18-10-16(24(25,26)27)11-19(12-18)31-23-32-20(14-22(33-23)35-6-8-37-9-7-35)30-17-2-4-34-5-3-28-21(34)13-17/h2-5,10-14H,6-9H2,1H3,(H,29,36)(H2,30,31,32,33)
InChIKeyCCAHUKYIWXUOKS-UHFFFAOYSA-N
MW512.50 g/mol
LogP4.43
Rot. Bonds6

About N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide

N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 145179634) has the molecular formula C24H23F3N8O2 and a molecular weight of 512.50 g/mol. Its IUPAC name is N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
PubChem CID145179634
Molecular FormulaC24H23F3N8O2
Molecular Weight512.50 g/mol
Exact Mass512.19
IUPAC NameN-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N8O2/c1-15(36)29-18-10-16(24(25,26)27)11-19(12-18)31-23-32-20(14-22(33-23)35-6-8-37-9-7-35)30-17-2-4-34-5-3-28-21(34)13-17/h2-5,10-14H,6-9H2,1H3,(H,29,36)(H2,30,31,32,33)
InChIKeyCCAHUKYIWXUOKS-UHFFFAOYSA-N
XLogP4.43
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 145179637
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
6-(aziridin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145179592
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450029
2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450069
2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450095
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
2-N-(4,6-dimethyl-2-pyridinyl)-6-N-imidazo[1,2-a]pyridin-7-yl-4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
CID 139450017
6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 145179598

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide (CID 145179634) is N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CCAHUKYIWXUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O2/c1-15(36)29-18-10-16(24(25,26)27)11-19(12-18)31-23-32-20(14-22(33-23)35-6-8-37-9-7-35)30-17-2-4-34-5-3-28-21(34)13-17/h2-5,10-14H,6-9H2,1H3,(H,29,36)(H2,30,31,32,33).
What are the key properties of N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide?
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 512.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 145179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).