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

C34H48N8O4 — CID 123229471

IUPAC7-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
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5(CC4)CN(C(O)OC(C)(C)C)C5)cn3)nc2n1C1CCCCCC1
InChIInChI=1S/C34H48N8O4/c1-33(2,3)46-32(45)41-21-34(22-41)14-16-40(17-15-34)29(43)23-12-13-27(35-19-23)37-31-36-20-24-18-26(30(44)39(4)5)42(28(24)38-31)25-10-8-6-7-9-11-25/h12-13,18-20,25,32,45H,6-11,14-17,21-22H2,1-5H3,(H,35,36,37,38)
InChIKeyAHHTWKVQXQVKKC-UHFFFAOYSA-N
MW632.81 g/mol
LogP4.80
Rot. Bonds7

About 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

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 (PubChem CID 123229471) has the molecular formula C34H48N8O4 and a molecular weight of 632.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID123229471
Molecular FormulaC34H48N8O4
Molecular Weight632.81 g/mol
Exact Mass632.38
IUPAC Name7-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
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5(CC4)CN(C(O)OC(C)(C)C)C5)cn3)nc2n1C1CCCCCC1
InChIInChI=1S/C34H48N8O4/c1-33(2,3)46-32(45)41-21-34(22-41)14-16-40(17-15-34)29(43)23-12-13-27(35-19-23)37-31-36-20-24-18-26(30(44)39(4)5)42(28(24)38-31)25-10-8-6-7-9-11-25/h12-13,18-20,25,32,45H,6-11,14-17,21-22H2,1-5H3,(H,35,36,37,38)
InChIKeyAHHTWKVQXQVKKC-UHFFFAOYSA-N
XLogP4.80
TPSA128.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.81
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-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-cyclopentyl-2-[[5-[4-(dimethylamino)piperidine-1-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224025
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
7-cyclopentyl-2-[[5-[4-(4-ethynylbenzoyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171527817
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
tert-butyl 4-[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]piperidine-1-carboxylate
CID 156789713
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
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
tert-butyl 3-[6-[[7-cyclopentyl-6-(methylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octane-1-carboxylate
CID 67356766
tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 158727933

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5(CC4)CN(C(O)OC(C)(C)C)C5)cn3)nc2n1C1CCCCCC1.
What is the InChIKey of 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?
The InChIKey is AHHTWKVQXQVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N8O4/c1-33(2,3)46-32(45)41-21-34(22-41)14-16-40(17-15-34)29(43)23-12-13-27(35-19-23)37-31-36-20-24-18-26(30(44)39(4)5)42(28(24)38-31)25-10-8-6-7-9-11-25/h12-13,18-20,25,32,45H,6-11,14-17,21-22H2,1-5H3,(H,35,36,37,38).
What are the key properties of 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?
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 has a molecular weight of 632.81 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123229471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).