7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

C30H43N9O2 — CID 118205683

IUPAC7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2c(n1C1CCN(C(C)(C)C)CC1)NC(Nc1ccc(C(=O)N3CC4CCC(C3)N4)cn1)=NC2
InChIInChI=1S/C30H43N9O2/c1-30(2,3)38-12-10-23(11-13-38)39-24(28(41)36(4)5)14-20-16-32-29(35-26(20)39)34-25-9-6-19(15-31-25)27(40)37-17-21-7-8-22(18-37)33-21/h6,9,14-15,21-23,33H,7-8,10-13,16-18H2,1-5H3,(H2,31,32,34,35)
InChIKeyGSUPWYLDQWBHST-UHFFFAOYSA-N
MW561.74 g/mol
LogP2.99
Rot. Bonds4

About 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118205683) has the molecular formula C30H43N9O2 and a molecular weight of 561.74 g/mol. Its IUPAC name is 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID118205683
Molecular FormulaC30H43N9O2
Molecular Weight561.74 g/mol
Exact Mass561.35
IUPAC Name7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2c(n1C1CCN(C(C)(C)C)CC1)NC(Nc1ccc(C(=O)N3CC4CCC(C3)N4)cn1)=NC2
InChIInChI=1S/C30H43N9O2/c1-30(2,3)38-12-10-23(11-13-38)39-24(28(41)36(4)5)14-20-16-32-29(35-26(20)39)34-25-9-6-19(15-31-25)27(40)37-17-21-7-8-22(18-37)33-21/h6,9,14-15,21-23,33H,7-8,10-13,16-18H2,1-5H3,(H2,31,32,34,35)
InChIKeyGSUPWYLDQWBHST-UHFFFAOYSA-N
XLogP2.99
TPSA110.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.74
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

tert-butyl 3-[6-[[7-(1-tert-butylpiperidin-4-yl)-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 159772504
7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane
CID 157389733
7-[(2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(5S)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355300
tert-butyl 3-(6-aminopyridine-3-carbonyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-[[7-(1-tert-butylpiperidin-4-yl)-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;7-(1-tert-butylpiperidin-4-yl)-2-chloro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 157432578
7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N,1-trimethyl-7aH-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 118214342
7-cycloheptyl-2-[[5-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 123229471
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
3-[6-[[7-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 150149781
tert-butyl 5-[6-[[7-cycloheptyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67354533
7-cyclohexyl-N,N-dimethyl-2-[[5-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67356350
7-cycloheptyl-N,N-dimethyl-2-[[5-(7-oxo-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 163909708

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 118205683) is 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2c(n1C1CCN(C(C)(C)C)CC1)NC(Nc1ccc(C(=O)N3CC4CCC(C3)N4)cn1)=NC2.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GSUPWYLDQWBHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N9O2/c1-30(2,3)38-12-10-23(11-13-38)39-24(28(41)36(4)5)14-20-16-32-29(35-26(20)39)34-25-9-6-19(15-31-25)27(40)37-17-21-7-8-22(18-37)33-21/h6,9,14-15,21-23,33H,7-8,10-13,16-18H2,1-5H3,(H2,31,32,34,35).
What are the key properties of 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 561.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-tert-butylpiperidin-4-yl)-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethyl-1,4-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118205683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).