4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C14H17N7 — CID 171446103

IUPAC4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19)
InChIKeyMPFDMIZDVLUDKB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.65
Rot. Bonds2

About 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 171446103) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID171446103
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19)
InChIKeyMPFDMIZDVLUDKB-UHFFFAOYSA-N
XLogP1.65
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 171446103) is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MPFDMIZDVLUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 171446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).