7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C24H28N8O2 — CID 67355584

IUPAC7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C24H28N8O2/c1-25-22(33)19-8-15-11-28-24(30-21(15)32(19)17-4-2-3-5-17)29-20-7-6-14(10-27-20)23(34)31-13-16-9-18(31)12-26-16/h6-8,10-11,16-18,26H,2-5,9,12-13H2,1H3,(H,25,33)(H,27,28,29,30)/t16-,18-/m0/s1
InChIKeyZRGKDHUMYRDLNI-WMZOPIPTSA-N
MW460.54 g/mol
LogP2.23
Rot. Bonds5

About 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355584) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67355584
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C24H28N8O2/c1-25-22(33)19-8-15-11-28-24(30-21(15)32(19)17-4-2-3-5-17)29-20-7-6-14(10-27-20)23(34)31-13-16-9-18(31)12-26-16/h6-8,10-11,16-18,26H,2-5,9,12-13H2,1H3,(H,25,33)(H,27,28,29,30)/t16-,18-/m0/s1
InChIKeyZRGKDHUMYRDLNI-WMZOPIPTSA-N
XLogP2.23
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355584) is 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZRGKDHUMYRDLNI-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-25-22(33)19-8-15-11-28-24(30-21(15)32(19)17-4-2-3-5-17)29-20-7-6-14(10-27-20)23(34)31-13-16-9-18(31)12-26-16/h6-8,10-11,16-18,26H,2-5,9,12-13H2,1H3,(H,25,33)(H,27,28,29,30)/t16-,18-/m0/s1.
What are the key properties of 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).