(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine

C16H19N7 — CID 171359505

IUPAC(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
SMILESc1cc(N2CCC[C@H](NCc3cnc4cnccn34)C2)ncn1
InChIInChI=1S/C16H19N7/c1-2-13(11-22(6-1)15-3-4-18-12-21-15)19-8-14-9-20-16-10-17-5-7-23(14)16/h3-5,7,9-10,12-13,19H,1-2,6,8,11H2/t13-/m0/s1
InChIKeyZDFXARZLYRWYQF-ZDUSSCGKSA-N
MW309.38 g/mol
LogP1.28
Rot. Bonds4

About (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine

(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine (PubChem CID 171359505) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
PubChem CID171359505
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
SMILESc1cc(N2CCC[C@H](NCc3cnc4cnccn34)C2)ncn1
InChIInChI=1S/C16H19N7/c1-2-13(11-22(6-1)15-3-4-18-12-21-15)19-8-14-9-20-16-10-17-5-7-23(14)16/h3-5,7,9-10,12-13,19H,1-2,6,8,11H2/t13-/m0/s1
InChIKeyZDFXARZLYRWYQF-ZDUSSCGKSA-N
XLogP1.28
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine (CID 171359505) is (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine is c1cc(N2CCC[C@H](NCc3cnc4cnccn34)C2)ncn1.
What is the InChIKey of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine?
The InChIKey is ZDFXARZLYRWYQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-13(11-22(6-1)15-3-4-18-12-21-15)19-8-14-9-20-16-10-17-5-7-23(14)16/h3-5,7,9-10,12-13,19H,1-2,6,8,11H2/t13-/m0/s1.
What are the key properties of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine?
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine has a molecular weight of 309.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine is sourced from PubChem (CID 171359505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).