3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine

C25H29FN8O2 — CID 175394692

IUPAC3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine
SMILESCOc1nc(N2CCOCC2)c(N)cc1Nc1nccc(-n2cc(CN(C)C)c3ccc(F)cc32)n1
InChIInChI=1S/C25H29FN8O2/c1-32(2)14-16-15-34(21-12-17(26)4-5-18(16)21)22-6-7-28-25(30-22)29-20-13-19(27)23(31-24(20)35-3)33-8-10-36-11-9-33/h4-7,12-13,15H,8-11,14,27H2,1-3H3,(H,28,29,30)
InChIKeyBQSAPMVLNCNCIS-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.19
Rot. Bonds7

About 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine

3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine (PubChem CID 175394692) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine
PubChem CID175394692
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Name3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine
SMILESCOc1nc(N2CCOCC2)c(N)cc1Nc1nccc(-n2cc(CN(C)C)c3ccc(F)cc32)n1
InChIInChI=1S/C25H29FN8O2/c1-32(2)14-16-15-34(21-12-17(26)4-5-18(16)21)22-6-7-28-25(30-22)29-20-13-19(27)23(31-24(20)35-3)33-8-10-36-11-9-33/h4-7,12-13,15H,8-11,14,27H2,1-3H3,(H,28,29,30)
InChIKeyBQSAPMVLNCNCIS-UHFFFAOYSA-N
XLogP3.19
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-N-[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-methylpyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine
CID 162778820
6-fluoro-1-[2-(2-methoxy-4-morpholin-4-yl-5-nitroanilino)pyrimidin-4-yl]indole-3-carbaldehyde
CID 175394658
4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-N-(2-methoxy-6-morpholin-4-yl-5-nitro-3-pyridinyl)-5-methylpyrimidin-2-amine
CID 162778825
3-bromo-N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]propanamide
CID 137443285
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
N-[5-[[4-[4-[(dimethylamino)methyl]-3-pyridin-3-ylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide
CID 121268955
1-N-[2-(dimethylamino)ethyl]-5-methoxy-4-N-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine
CID 153494787
1-[2-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]pyrimidin-4-yl]indole-5-carboxamide
CID 135203794
6-[6-fluoro-3-(2-morpholin-4-ylethyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
CID 73387644
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
N-[5-[[4-(6-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 135369258
1-N-[2-(aziridin-1-yl)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 159530907

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine?
The IUPAC name of 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine (CID 175394692) is 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine?
The canonical SMILES for 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine is COc1nc(N2CCOCC2)c(N)cc1Nc1nccc(-n2cc(CN(C)C)c3ccc(F)cc32)n1.
What is the InChIKey of 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine?
The InChIKey is BQSAPMVLNCNCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c1-32(2)14-16-15-34(21-12-17(26)4-5-18(16)21)22-6-7-28-25(30-22)29-20-13-19(27)23(31-24(20)35-3)33-8-10-36-11-9-33/h4-7,12-13,15H,8-11,14,27H2,1-3H3,(H,28,29,30).
What are the key properties of 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine?
3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine has a molecular weight of 492.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-[3-[(dimethylamino)methyl]-6-fluoroindol-1-yl]pyrimidin-2-yl]-2-methoxy-6-morpholin-4-ylpyridine-3,5-diamine is sourced from PubChem (CID 175394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).