5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide

C26H28N6O3 — CID 71233757

IUPAC5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31)
InChIKeyRDWLSDNVJFWOEA-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.16
Rot. Bonds7

About 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide

5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (PubChem CID 71233757) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
PubChem CID71233757
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31)
InChIKeyRDWLSDNVJFWOEA-UHFFFAOYSA-N
XLogP4.16
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Piperidinamine, N-ethyl-N-(3-(methoxymethyl)-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 484353
Piperazine, 1-((6-(hydroxymethyl)-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454734
N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
CID 155195311
methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
4-Piperidinamine, N-(3-(methoxymethyl)-2-pyridinyl)-N-methyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 484351
[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-6-yl]methanol
CID 462957
2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190894
2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190895
2-(2-aminopyrimidin-4-yl)-6-[(benzyloxy)methyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23582586
N-ethyl-4-(3-phenylmorpholin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137650313
3-Pyridinecarboxylic acid, 2-(methyl(1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-4-piperidinyl)amino)-, methyl ester
CID 484352
(r)-2-(2-Amino-pyrimidin-4-yl)-6-benzyloxymethyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 25194016

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (CID 71233757) is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1.
What is the InChIKey of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The InChIKey is RDWLSDNVJFWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31).
What are the key properties of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71233757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).