N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

C30H32N6O4 — CID 54768804

IUPACN-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1
InChIInChI=1S/C30H32N6O4/c1-2-40-26-17-23(29(38)35-13-15-39-16-14-35)9-11-25(26)32-30-33-27-12-10-24(19-36(27)34-30)21-5-7-22(8-6-21)28(37)31-18-20-3-4-20/h5-12,17,19-20H,2-4,13-16,18H2,1H3,(H,31,37)(H,32,34)
InChIKeyBBPGYTOSRVFJHR-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.15
Rot. Bonds9

About N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 54768804) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID54768804
Molecular FormulaC30H32N6O4
Molecular Weight540.62 g/mol
Exact Mass540.25
IUPAC NameN-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1
InChIInChI=1S/C30H32N6O4/c1-2-40-26-17-23(29(38)35-13-15-39-16-14-35)9-11-25(26)32-30-33-27-12-10-24(19-36(27)34-30)21-5-7-22(8-6-21)28(37)31-18-20-3-4-20/h5-12,17,19-20H,2-4,13-16,18H2,1H3,(H,31,37)(H,32,34)
InChIKeyBBPGYTOSRVFJHR-UHFFFAOYSA-N
XLogP4.15
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 54768804) is N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is BBPGYTOSRVFJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-2-40-26-17-23(29(38)35-13-15-39-16-14-35)9-11-25(26)32-30-33-27-12-10-24(19-36(27)34-30)21-5-7-22(8-6-21)28(37)31-18-20-3-4-20/h5-12,17,19-20H,2-4,13-16,18H2,1H3,(H,31,37)(H,32,34).
What are the key properties of N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 540.62 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 54768804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).