4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C16H23N5 — CID 167838700

IUPAC4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCC(C2CCN(c3ncnc4[nH]ccc34)C2)CC1
InChIInChI=1S/C16H23N5/c1-20-7-3-12(4-8-20)13-5-9-21(10-13)16-14-2-6-17-15(14)18-11-19-16/h2,6,11-13H,3-5,7-10H2,1H3,(H,17,18,19)
InChIKeyFBPODQDQMHDHNZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.13
Rot. Bonds2

About 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 167838700) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID167838700
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCC(C2CCN(c3ncnc4[nH]ccc34)C2)CC1
InChIInChI=1S/C16H23N5/c1-20-7-3-12(4-8-20)13-5-9-21(10-13)16-14-2-6-17-15(14)18-11-19-16/h2,6,11-13H,3-5,7-10H2,1H3,(H,17,18,19)
InChIKeyFBPODQDQMHDHNZ-UHFFFAOYSA-N
XLogP2.13
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 167838700) is 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is CN1CCC(C2CCN(c3ncnc4[nH]ccc34)C2)CC1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FBPODQDQMHDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-7-3-12(4-8-20)13-5-9-21(10-13)16-14-2-6-17-15(14)18-11-19-16/h2,6,11-13H,3-5,7-10H2,1H3,(H,17,18,19).
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167838700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).