4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

C22H23N7O — CID 53326553

IUPAC4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESc1cncc(CCNc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(29-9-11-30-12-10-29)27-22(26-20)24-8-6-16-3-2-7-23-14-16/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27)
InChIKeyGLMZDYGRIBXRAZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds6

About 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 53326553) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID53326553
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESc1cncc(CCNc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(29-9-11-30-12-10-29)27-22(26-20)24-8-6-16-3-2-7-23-14-16/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27)
InChIKeyGLMZDYGRIBXRAZ-UHFFFAOYSA-N
XLogP2.91
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 53326553) is 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is c1cncc(CCNc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is GLMZDYGRIBXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(29-9-11-30-12-10-29)27-22(26-20)24-8-6-16-3-2-7-23-14-16/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27).
What are the key properties of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 53326553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).