N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine

C26H27N9O — CID 90099105

IUPACN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4ccc5c(C)n(C)nc5c4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C26H27N9O/c1-16-19-5-4-18(13-20(19)33-34(16)2)30-23-12-17(6-7-29-23)25-31-21-14-28-15-22(36-3)24(21)26(32-25)35-10-8-27-9-11-35/h4-7,12-15,27H,8-11H2,1-3H3,(H,29,30)
InChIKeyIKBPBEJZNGQQBL-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine

N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine (PubChem CID 90099105) has the molecular formula C26H27N9O and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine.

Molecular Properties

Compound NameN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine
PubChem CID90099105
Molecular FormulaC26H27N9O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC NameN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4ccc5c(C)n(C)nc5c4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C26H27N9O/c1-16-19-5-4-18(13-20(19)33-34(16)2)30-23-12-17(6-7-29-23)25-31-21-14-28-15-22(36-3)24(21)26(32-25)35-10-8-27-9-11-35/h4-7,12-15,27H,8-11H2,1-3H3,(H,29,30)
InChIKeyIKBPBEJZNGQQBL-UHFFFAOYSA-N
XLogP3.44
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine?
The IUPAC name of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine (CID 90099105) is N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine.
What is the SMILES notation for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine?
The canonical SMILES for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine is COc1cncc2nc(-c3ccnc(Nc4ccc5c(C)n(C)nc5c4)c3)nc(N3CCNCC3)c12.
What is the InChIKey of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine?
The InChIKey is IKBPBEJZNGQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O/c1-16-19-5-4-18(13-20(19)33-34(16)2)30-23-12-17(6-7-29-23)25-31-21-14-28-15-22(36-3)24(21)26(32-25)35-10-8-27-9-11-35/h4-7,12-15,27H,8-11H2,1-3H3,(H,29,30).
What are the key properties of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine?
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine has a molecular weight of 481.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2,3-dimethylindazol-6-amine is sourced from PubChem (CID 90099105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).