N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C23H29N5O3 — CID 92628240

IUPACN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C)nc(N3CCOCC3)n1)cn2C
InChIInChI=1S/C23H29N5O3/c1-15(11-17-14-27(3)21-6-5-18(30-4)13-19(17)21)24-22(29)20-12-16(2)25-23(26-20)28-7-9-31-10-8-28/h5-6,12-15H,7-11H2,1-4H3,(H,24,29)/t15-/m0/s1
InChIKeyLIJCDDDEKPLURG-HNNXBMFYSA-N
MW423.52 g/mol
LogP2.48
Rot. Bonds6

About N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 92628240) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID92628240
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C)nc(N3CCOCC3)n1)cn2C
InChIInChI=1S/C23H29N5O3/c1-15(11-17-14-27(3)21-6-5-18(30-4)13-19(17)21)24-22(29)20-12-16(2)25-23(26-20)28-7-9-31-10-8-28/h5-6,12-15H,7-11H2,1-4H3,(H,24,29)/t15-/m0/s1
InChIKeyLIJCDDDEKPLURG-HNNXBMFYSA-N
XLogP2.48
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701
6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
CID 46974849
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
CID 92614108
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
CID 92625926
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319143
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109332737

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 92628240) is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C)nc(N3CCOCC3)n1)cn2C.
What is the InChIKey of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is LIJCDDDEKPLURG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(11-17-14-27(3)21-6-5-18(30-4)13-19(17)21)24-22(29)20-12-16(2)25-23(26-20)28-7-9-31-10-8-28/h5-6,12-15H,7-11H2,1-4H3,(H,24,29)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 92628240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).