6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine

C17H18N8 — CID 70732467

IUPAC6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
SMILESNc1nc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c2[nH]cnc2n1
InChIInChI=1S/C17H18N8/c18-17-24-13(14-16(25-17)21-8-20-14)11-7-12(22-9-3-1-2-4-9)23-15-10(11)5-6-19-15/h5-9H,1-4H2,(H2,19,22,23)(H3,18,20,21,24,25)
InChIKeyPDGWBBILDBAUHC-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.83
Rot. Bonds3

About 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine

6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine (PubChem CID 70732467) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
PubChem CID70732467
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
SMILESNc1nc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c2[nH]cnc2n1
InChIInChI=1S/C17H18N8/c18-17-24-13(14-16(25-17)21-8-20-14)11-7-12(22-9-3-1-2-4-9)23-15-10(11)5-6-19-15/h5-9H,1-4H2,(H2,19,22,23)(H3,18,20,21,24,25)
InChIKeyPDGWBBILDBAUHC-UHFFFAOYSA-N
XLogP2.83
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine with MolForge

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Related Compounds

6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911863
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70729671
2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 56891862
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
6-(1H-imidazol-2-yl)-7H-purin-2-amine
CID 69250570
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232

Frequently Asked Questions

What is the IUPAC name of 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine?
The IUPAC name of 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine (CID 70732467) is 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine?
The canonical SMILES for 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine is Nc1nc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c2[nH]cnc2n1.
What is the InChIKey of 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine?
The InChIKey is PDGWBBILDBAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c18-17-24-13(14-16(25-17)21-8-20-14)11-7-12(22-9-3-1-2-4-9)23-15-10(11)5-6-19-15/h5-9H,1-4H2,(H2,19,22,23)(H3,18,20,21,24,25).
What are the key properties of 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine?
6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine is sourced from PubChem (CID 70732467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).