1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea

C18H18BrClN8O2 — CID 168993749

IUPAC1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cn3nc(C)nc3c(Br)c2C)cnc2cc(Cl)nn12
InChIInChI=1S/C18H18BrClN8O2/c1-8-12(7-27-17(15(8)19)22-10(3)25-27)24-18(29)23-11-6-21-14-5-13(20)26-28(14)16(11)9(2)30-4/h5-7,9H,1-4H3,(H2,23,24,29)/t9-/m0/s1
InChIKeyJUROPXODEXYIOK-VIFPVBQESA-N
MW493.75 g/mol
LogP4.16
Rot. Bonds4

About 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea

1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 168993749) has the molecular formula C18H18BrClN8O2 and a molecular weight of 493.75 g/mol. Its IUPAC name is 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID168993749
Molecular FormulaC18H18BrClN8O2
Molecular Weight493.75 g/mol
Exact Mass492.04
IUPAC Name1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cn3nc(C)nc3c(Br)c2C)cnc2cc(Cl)nn12
InChIInChI=1S/C18H18BrClN8O2/c1-8-12(7-27-17(15(8)19)22-10(3)25-27)24-18(29)23-11-6-21-14-5-13(20)26-28(14)16(11)9(2)30-4/h5-7,9H,1-4H3,(H2,23,24,29)/t9-/m0/s1
InChIKeyJUROPXODEXYIOK-VIFPVBQESA-N
XLogP4.16
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.75
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea with MolForge

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Related Compounds

1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(difluoromethyl)-4-pyridinyl]urea
CID 118540207
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
1-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)pyridazin-3-yl]urea
CID 137357773
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 129117204
3-chloro-5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 172561681
tert-butyl N-[2-[[5-chloro-3-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]carbamate
CID 139433341
4-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2,5-difluoro-N-prop-2-enoxybenzamide
CID 172561614
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(3-oxoprop-2-enoxy)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 169103206
3-chloro-5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-N-[2-(methylamino)ethoxy]pyridine-2-carboxamide
CID 172561640
3-chloro-1-[[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]methoxy]azetidine-3-carboxamide
CID 172561557
N-[1-[5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-methylpropanamide
CID 172561607
1-[2-chloro-7-[1-(2-methoxyethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 118540266

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 168993749) is 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea is CO[C@@H](C)c1c(NC(=O)Nc2cn3nc(C)nc3c(Br)c2C)cnc2cc(Cl)nn12.
What is the InChIKey of 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is JUROPXODEXYIOK-VIFPVBQESA-N. The full InChI is InChI=1S/C18H18BrClN8O2/c1-8-12(7-27-17(15(8)19)22-10(3)25-27)24-18(29)23-11-6-21-14-5-13(20)26-28(14)16(11)9(2)30-4/h5-7,9H,1-4H3,(H2,23,24,29)/t9-/m0/s1.
What are the key properties of 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 493.75 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 168993749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).