N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide

C24H26N6O3 — CID 127251364

IUPACN-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc(C3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)c2)cn1
InChIInChI=1S/C24H26N6O3/c1-14-10-16(15-6-7-19(26-12-15)23(31)25-2)11-20(27-14)21-13-30(8-9-33-21)24(32)22-17-4-3-5-18(17)28-29-22/h6-7,10-12,21H,3-5,8-9,13H2,1-2H3,(H,25,31)(H,28,29)
InChIKeyRQRCAITWHPDCFN-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide

N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 127251364) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
PubChem CID127251364
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc(C3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)c2)cn1
InChIInChI=1S/C24H26N6O3/c1-14-10-16(15-6-7-19(26-12-15)23(31)25-2)11-20(27-14)21-13-30(8-9-33-21)24(32)22-17-4-3-5-18(17)28-29-22/h6-7,10-12,21H,3-5,8-9,13H2,1-2H3,(H,25,31)(H,28,29)
InChIKeyRQRCAITWHPDCFN-UHFFFAOYSA-N
XLogP2.24
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[2-methyl-6-[4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 110130769
N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 124951336
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124971507
[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093626
[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110118939
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124946154
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125010830
5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 127250654
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide (CID 127251364) is N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(C)nc(C3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)c2)cn1.
What is the InChIKey of N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is RQRCAITWHPDCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-14-10-16(15-6-7-19(26-12-15)23(31)25-2)11-20(27-14)21-13-30(8-9-33-21)24(32)22-17-4-3-5-18(17)28-29-22/h6-7,10-12,21H,3-5,8-9,13H2,1-2H3,(H,25,31)(H,28,29).
What are the key properties of N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 127251364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).