5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine

C15H14ClN5O — CID 176897129

IUPAC5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(c1)c(C1CC1)nn2-c1nc(N)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-22-9-4-5-12-10(6-9)13(8-2-3-8)20-21(12)14-11(16)7-18-15(17)19-14/h4-8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyXPVGOQSQUAYIAW-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine

5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine (PubChem CID 176897129) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine
PubChem CID176897129
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(c1)c(C1CC1)nn2-c1nc(N)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-22-9-4-5-12-10(6-9)13(8-2-3-8)20-21(12)14-11(16)7-18-15(17)19-14/h4-8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyXPVGOQSQUAYIAW-UHFFFAOYSA-N
XLogP2.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine (CID 176897129) is 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine is COc1ccc2c(c1)c(C1CC1)nn2-c1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine?
The InChIKey is XPVGOQSQUAYIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-22-9-4-5-12-10(6-9)13(8-2-3-8)20-21(12)14-11(16)7-18-15(17)19-14/h4-8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine?
5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine has a molecular weight of 315.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-cyclopropyl-5-methoxyindazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 176897129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).