N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide

C25H23N7O2 — CID 134139490

IUPACN-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)ncnc2cc1OC
InChIInChI=1S/C25H23N7O2/c1-3-24(33)31-21-11-19-20(12-23(21)34-2)27-15-28-25(19)30-17-7-8-22-16(10-17)13-29-32(22)14-18-6-4-5-9-26-18/h4-13,15H,3,14H2,1-2H3,(H,31,33)(H,27,28,30)
InChIKeyKABLMFMHWJFKIW-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.52
Rot. Bonds7

About N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide

N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide (PubChem CID 134139490) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide
PubChem CID134139490
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC NameN-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)ncnc2cc1OC
InChIInChI=1S/C25H23N7O2/c1-3-24(33)31-21-11-19-20(12-23(21)34-2)27-15-28-25(19)30-17-7-8-22-16(10-17)13-29-32(22)14-18-6-4-5-9-26-18/h4-13,15H,3,14H2,1-2H3,(H,31,33)(H,27,28,30)
InChIKeyKABLMFMHWJFKIW-UHFFFAOYSA-N
XLogP4.52
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide?
The IUPAC name of N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide (CID 134139490) is N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide?
The canonical SMILES for N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide is CCC(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)ncnc2cc1OC.
What is the InChIKey of N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide?
The InChIKey is KABLMFMHWJFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-3-24(33)31-21-11-19-20(12-23(21)34-2)27-15-28-25(19)30-17-7-8-22-16(10-17)13-29-32(22)14-18-6-4-5-9-26-18/h4-13,15H,3,14H2,1-2H3,(H,31,33)(H,27,28,30).
What are the key properties of N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide?
N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide has a molecular weight of 453.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide is sourced from PubChem (CID 134139490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).