N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide

C26H26N6O2 — CID 171635627

IUPACN-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(NC3C=CN(C)N3)c2)cccc1C(=O)NCc1ccn2cccc2c1
InChIInChI=1S/C26H26N6O2/c1-18-22(26(33)28-17-19-9-14-32-12-4-5-20(32)15-19)6-3-7-23(18)34-21-8-11-27-25(16-21)29-24-10-13-31(2)30-24/h3-16,24,30H,17H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyPTQAHROPTFHYDE-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.07
Rot. Bonds7

About N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide

N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide (PubChem CID 171635627) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide
PubChem CID171635627
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(NC3C=CN(C)N3)c2)cccc1C(=O)NCc1ccn2cccc2c1
InChIInChI=1S/C26H26N6O2/c1-18-22(26(33)28-17-19-9-14-32-12-4-5-20(32)15-19)6-3-7-23(18)34-21-8-11-27-25(16-21)29-24-10-13-31(2)30-24/h3-16,24,30H,17H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyPTQAHROPTFHYDE-UHFFFAOYSA-N
XLogP4.07
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 171635265
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635393
N-[4-[3-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-2-methyl-2H-pyrrole-5-carboxamide
CID 171634935
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
CID 171635795
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
ethane;N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-[[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]amino]-4-pyridinyl]oxy]benzamide
CID 171635435
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
CID 171635999
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(3,5-difluorophenyl)methyl]-3-[[2-[[(Z,2E)-2-ethylidenepent-3-enoyl]amino]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171635153
N-[(3-chlorophenyl)methyl]-2-methyl-3-[[2-[[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]amino]-4-pyridinyl]oxy]benzamide;ethane
CID 171635439
ethane;N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[1-(2H-pyrrol-5-yl)ethenylamino]-4-pyridinyl]oxy]benzamide
CID 171635221

Frequently Asked Questions

What is the IUPAC name of N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide (CID 171635627) is N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide is Cc1c(Oc2ccnc(NC3C=CN(C)N3)c2)cccc1C(=O)NCc1ccn2cccc2c1.
What is the InChIKey of N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide?
The InChIKey is PTQAHROPTFHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-18-22(26(33)28-17-19-9-14-32-12-4-5-20(32)15-19)6-3-7-23(18)34-21-8-11-27-25(16-21)29-24-10-13-31(2)30-24/h3-16,24,30H,17H2,1-2H3,(H,27,29)(H,28,33).
What are the key properties of N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide?
N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).