4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine

C22H29N7O — CID 71004484

IUPAC4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
SMILESCc1c(CN2CCN(C)CC2)nc(-c2cccc3[nH]ncc23)nc1N1CCOCC1
InChIInChI=1S/C22H29N7O/c1-16-20(15-28-8-6-27(2)7-9-28)24-21(25-22(16)29-10-12-30-13-11-29)17-4-3-5-19-18(17)14-23-26-19/h3-5,14H,6-13,15H2,1-2H3,(H,23,26)
InChIKeyXOZXIERFGPAHNS-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.91
Rot. Bonds4

About 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine (PubChem CID 71004484) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
PubChem CID71004484
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
SMILESCc1c(CN2CCN(C)CC2)nc(-c2cccc3[nH]ncc23)nc1N1CCOCC1
InChIInChI=1S/C22H29N7O/c1-16-20(15-28-8-6-27(2)7-9-28)24-21(25-22(16)29-10-12-30-13-11-29)17-4-3-5-19-18(17)14-23-26-19/h3-5,14H,6-13,15H2,1-2H3,(H,23,26)
InChIKeyXOZXIERFGPAHNS-UHFFFAOYSA-N
XLogP1.91
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine (CID 71004484) is 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine is Cc1c(CN2CCN(C)CC2)nc(-c2cccc3[nH]ncc23)nc1N1CCOCC1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine?
The InChIKey is XOZXIERFGPAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-16-20(15-28-8-6-27(2)7-9-28)24-21(25-22(16)29-10-12-30-13-11-29)17-4-3-5-19-18(17)14-23-26-19/h3-5,14H,6-13,15H2,1-2H3,(H,23,26).
What are the key properties of 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine has a molecular weight of 407.52 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71004484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).