1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione

C35H42N10O2 — CID 177362763

IUPAC1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cccc(N3CCC(N4CCC(c5ccc(Nc6ncc7c(n6)CNCC7)cc5)CC4)CC3)c21
InChIInChI=1S/C35H42N10O2/c1-42-32-28(33(41-42)45-20-14-31(46)40-35(45)47)3-2-4-30(32)44-18-12-27(13-19-44)43-16-10-24(11-17-43)23-5-7-26(8-6-23)38-34-37-21-25-9-15-36-22-29(25)39-34/h2-8,21,24,27,36H,9-20,22H2,1H3,(H,37,38,39)(H,40,46,47)
InChIKeyGKQBOQMEQGEXFD-UHFFFAOYSA-N
MW634.79 g/mol
LogP4.05
Rot. Bonds6

About 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione

1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177362763) has the molecular formula C35H42N10O2 and a molecular weight of 634.79 g/mol. Its IUPAC name is 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177362763
Molecular FormulaC35H42N10O2
Molecular Weight634.79 g/mol
Exact Mass634.35
IUPAC Name1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cccc(N3CCC(N4CCC(c5ccc(Nc6ncc7c(n6)CNCC7)cc5)CC4)CC3)c21
InChIInChI=1S/C35H42N10O2/c1-42-32-28(33(41-42)45-20-14-31(46)40-35(45)47)3-2-4-30(32)44-18-12-27(13-19-44)43-16-10-24(11-17-43)23-5-7-26(8-6-23)38-34-37-21-25-9-15-36-22-29(25)39-34/h2-8,21,24,27,36H,9-20,22H2,1H3,(H,37,38,39)(H,40,46,47)
InChIKeyGKQBOQMEQGEXFD-UHFFFAOYSA-N
XLogP4.05
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.79
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 177160699
1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171821068
1-[2-methyl-4-[3-[7-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177363776
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
tert-butyl 7-[2-[4-[4-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-1-yl]piperidin-1-yl]anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 177362354
tert-butyl 2-[4-[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylphenyl]-2,6-diazaspiro[3.3]heptan-6-yl]piperidin-1-yl]anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 177364404
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
1-[2-methyl-4-[4-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177362652
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324420
tert-butyl 2-[4-[4-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylphenyl]-2,6-diazaspiro[3.3]heptan-6-yl]piperidin-1-yl]anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 177362584

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione (CID 177362763) is 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2cccc(N3CCC(N4CCC(c5ccc(Nc6ncc7c(n6)CNCC7)cc5)CC4)CC3)c21.
What is the InChIKey of 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GKQBOQMEQGEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N10O2/c1-42-32-28(33(41-42)45-20-14-31(46)40-35(45)47)3-2-4-30(32)44-18-12-27(13-19-44)43-16-10-24(11-17-43)23-5-7-26(8-6-23)38-34-37-21-25-9-15-36-22-29(25)39-34/h2-8,21,24,27,36H,9-20,22H2,1H3,(H,37,38,39)(H,40,46,47).
What are the key properties of 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 634.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177362763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).