1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

C18H19ClN6O2 — CID 118540196

IUPAC1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3cc(C)nn3c2C2(C)CC2)cc1Cl
InChIInChI=1S/C18H19ClN6O2/c1-10-6-14-20-9-13(15(25(14)24-10)18(2)4-5-18)23-17(26)22-11-7-12(19)16(27-3)21-8-11/h6-9H,4-5H2,1-3H3,(H2,22,23,26)
InChIKeyIXSHVGNNNBNQHA-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.79
Rot. Bonds4

About 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 118540196) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID118540196
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3cc(C)nn3c2C2(C)CC2)cc1Cl
InChIInChI=1S/C18H19ClN6O2/c1-10-6-14-20-9-13(15(25(14)24-10)18(2)4-5-18)23-17(26)22-11-7-12(19)16(27-3)21-8-11/h6-9H,4-5H2,1-3H3,(H2,22,23,26)
InChIKeyIXSHVGNNNBNQHA-UHFFFAOYSA-N
XLogP3.79
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 118540196) is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is COc1ncc(NC(=O)Nc2cnc3cc(C)nn3c2C2(C)CC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is IXSHVGNNNBNQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-10-6-14-20-9-13(15(25(14)24-10)18(2)4-5-18)23-17(26)22-11-7-12(19)16(27-3)21-8-11/h6-9H,4-5H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 386.84 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-methyl-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 118540196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).