N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide

C30H29N7O2 — CID 68933186

IUPACN-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C30H29N7O2/c1-21-25(5-2-6-26(21)35-30(38)23-4-3-11-31-18-23)27-20-37-13-12-32-29(37)28(34-27)33-24-9-7-22(8-10-24)19-36-14-16-39-17-15-36/h2-13,18,20H,14-17,19H2,1H3,(H,33,34)(H,35,38)
InChIKeyMUFMQJXSARZLAH-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.93
Rot. Bonds7

About N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide

N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide (PubChem CID 68933186) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide
PubChem CID68933186
Molecular FormulaC30H29N7O2
Molecular Weight519.61 g/mol
Exact Mass519.24
IUPAC NameN-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C30H29N7O2/c1-21-25(5-2-6-26(21)35-30(38)23-4-3-11-31-18-23)27-20-37-13-12-32-29(37)28(34-27)33-24-9-7-22(8-10-24)19-36-14-16-39-17-15-36/h2-13,18,20H,14-17,19H2,1H3,(H,33,34)(H,35,38)
InChIKeyMUFMQJXSARZLAH-UHFFFAOYSA-N
XLogP4.93
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 58688031
4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11714059
(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-1H-pyrrole-3-carboxamide
CID 143229964
[4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 78320959
4-tert-butyl-N-[3-[8-[4-[(4-methylpiperazin-1-yl)methyl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11534309
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
CID 68874747
4-tert-butyl-N-[3-[6-[3-fluoro-4-(morpholin-4-ylmethyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 66894885
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 78320014
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide (CID 68933186) is N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide is Cc1c(NC(=O)c2cccnc2)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1.
What is the InChIKey of N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is MUFMQJXSARZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-21-25(5-2-6-26(21)35-30(38)23-4-3-11-31-18-23)27-20-37-13-12-32-29(37)28(34-27)33-24-9-7-22(8-10-24)19-36-14-16-39-17-15-36/h2-13,18,20H,14-17,19H2,1H3,(H,33,34)(H,35,38).
What are the key properties of N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide?
N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 68933186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).