2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine

C24H26N6O — CID 130430006

IUPAC2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine
SMILESCOc1cnc(-c2nn(CC3CCCC3)c3ccccc23)nc1Nc1ccncc1C
InChIInChI=1S/C24H26N6O/c1-16-13-25-12-11-19(16)27-23-21(31-2)14-26-24(28-23)22-18-9-5-6-10-20(18)30(29-22)15-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8,15H2,1-2H3,(H,25,26,27,28)
InChIKeyFZHPTZTUSMAWRO-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.14
Rot. Bonds6

About 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine

2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine (PubChem CID 130430006) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine
PubChem CID130430006
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine
SMILESCOc1cnc(-c2nn(CC3CCCC3)c3ccccc23)nc1Nc1ccncc1C
InChIInChI=1S/C24H26N6O/c1-16-13-25-12-11-19(16)27-23-21(31-2)14-26-24(28-23)22-18-9-5-6-10-20(18)30(29-22)15-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8,15H2,1-2H3,(H,25,26,27,28)
InChIKeyFZHPTZTUSMAWRO-UHFFFAOYSA-N
XLogP5.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine (CID 130430006) is 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine is COc1cnc(-c2nn(CC3CCCC3)c3ccccc23)nc1Nc1ccncc1C.
What is the InChIKey of 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is FZHPTZTUSMAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-13-25-12-11-19(16)27-23-21(31-2)14-26-24(28-23)22-18-9-5-6-10-20(18)30(29-22)15-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8,15H2,1-2H3,(H,25,26,27,28).
What are the key properties of 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine?
2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 130430006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).