7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C25H30N8O2 — CID 67355423

IUPAC7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@@]6(CC4O6)N5)cn3)nc2n1C1CCC1
InChIInChI=1S/C25H30N8O2/c1-31(2)23(34)19-10-15-12-27-24(29-22(15)33(19)17-4-3-5-17)28-20-7-6-18(13-26-20)32-14-16-8-9-25(30-16)11-21(32)35-25/h6-7,10,12-13,16-17,21,30H,3-5,8-9,11,14H2,1-2H3,(H,26,27,28,29)/t16-,21?,25+/m0/s1
InChIKeyHQYSFQQVULDXOA-VTFGWYHTSA-N
MW474.57 g/mol
LogP3.01
Rot. Bonds5

About 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355423) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67355423
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@@]6(CC4O6)N5)cn3)nc2n1C1CCC1
InChIInChI=1S/C25H30N8O2/c1-31(2)23(34)19-10-15-12-27-24(29-22(15)33(19)17-4-3-5-17)28-20-7-6-18(13-26-20)32-14-16-8-9-25(30-16)11-21(32)35-25/h6-7,10,12-13,16-17,21,30H,3-5,8-9,11,14H2,1-2H3,(H,26,27,28,29)/t16-,21?,25+/m0/s1
InChIKeyHQYSFQQVULDXOA-VTFGWYHTSA-N
XLogP3.01
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355423) is 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@@]6(CC4O6)N5)cn3)nc2n1C1CCC1.
What is the InChIKey of 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HQYSFQQVULDXOA-VTFGWYHTSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-31(2)23(34)19-10-15-12-27-24(29-22(15)33(19)17-4-3-5-17)28-20-7-6-18(13-26-20)32-14-16-8-9-25(30-16)11-21(32)35-25/h6-7,10,12-13,16-17,21,30H,3-5,8-9,11,14H2,1-2H3,(H,26,27,28,29)/t16-,21?,25+/m0/s1.
What are the key properties of 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N,N-dimethyl-2-[[5-[(1R,6S)-2-oxa-4,9-diazatricyclo[4.2.1.11,3]decan-4-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).