4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide

C24H29N7O2 — CID 123215299

IUPAC4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C24H29N7O2/c25-24(32)31-10-5-17(6-11-31)16-1-3-18(4-2-16)20-13-21-22(28-8-7-27-21)23(30-20)29-15-19-14-26-9-12-33-19/h1-4,7-8,13,17,19,26H,5-6,9-12,14-15H2,(H2,25,32)(H,29,30)
InChIKeyOCYYRXWYIBPYMF-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.35
Rot. Bonds5

About 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide

4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide (PubChem CID 123215299) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
PubChem CID123215299
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C24H29N7O2/c25-24(32)31-10-5-17(6-11-31)16-1-3-18(4-2-16)20-13-21-22(28-8-7-27-21)23(30-20)29-15-19-14-26-9-12-33-19/h1-4,7-8,13,17,19,26H,5-6,9-12,14-15H2,(H2,25,32)(H,29,30)
InChIKeyOCYYRXWYIBPYMF-UHFFFAOYSA-N
XLogP2.35
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
CID 123607371
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]butan-1-one;sulfane
CID 159574224
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
CID 71113790
2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 78012361
7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
CID 141437407
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012243
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
CID 90126636
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide (CID 123215299) is 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide is NC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide?
The InChIKey is OCYYRXWYIBPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c25-24(32)31-10-5-17(6-11-31)16-1-3-18(4-2-16)20-13-21-22(28-8-7-27-21)23(30-20)29-15-19-14-26-9-12-33-19/h1-4,7-8,13,17,19,26H,5-6,9-12,14-15H2,(H2,25,32)(H,29,30).
What are the key properties of 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide?
4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 123215299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).