4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine

C21H18F3N7O — CID 145179637

IUPAC4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESFc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(F)c1F
InChIInChI=1S/C21H18F3N7O/c22-15-9-14(10-16(23)20(15)24)27-21-28-17(12-19(29-21)31-5-7-32-8-6-31)26-13-1-3-30-4-2-25-18(30)11-13/h1-4,9-12H,5-8H2,(H2,26,27,28,29)
InChIKeyYUMNDMKUFHOLTG-UHFFFAOYSA-N
MW441.42 g/mol
LogP3.87
Rot. Bonds5

About 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine

4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 145179637) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID145179637
Molecular FormulaC21H18F3N7O
Molecular Weight441.42 g/mol
Exact Mass441.15
IUPAC Name4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESFc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(F)c1F
InChIInChI=1S/C21H18F3N7O/c22-15-9-14(10-16(23)20(15)24)27-21-28-17(12-19(29-21)31-5-7-32-8-6-31)26-13-1-3-30-4-2-25-18(30)11-13/h1-4,9-12H,5-8H2,(H2,26,27,28,29)
InChIKeyYUMNDMKUFHOLTG-UHFFFAOYSA-N
XLogP3.87
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
CID 145179634
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
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
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
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
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
2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 139450206
6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine
CID 139450015

Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 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) is 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine is Fc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cc(F)c1F.
What is the InChIKey of 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is YUMNDMKUFHOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c22-15-9-14(10-16(23)20(15)24)27-21-28-17(12-19(29-21)31-5-7-32-8-6-31)26-13-1-3-30-4-2-25-18(30)11-13/h1-4,9-12H,5-8H2,(H2,26,27,28,29).
What are the key properties of 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 441.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 145179637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).