N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine

C24H27N7 — CID 170048690

IUPACN-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine
SMILESCCN1C[C@H](c2nc(Nc3ccc4nccn4c3)cc(-c3cccnc3)n2)CC[C@@H]1C
InChIInChI=1S/C24H27N7/c1-3-30-15-19(7-6-17(30)2)24-28-21(18-5-4-10-25-14-18)13-22(29-24)27-20-8-9-23-26-11-12-31(23)16-20/h4-5,8-14,16-17,19H,3,6-7,15H2,1-2H3,(H,27,28,29)/t17-,19+/m0/s1
InChIKeySFUYPFRNNSVCGJ-PKOBYXMFSA-N
MW413.53 g/mol
LogP4.52
Rot. Bonds5

About N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine

N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine (PubChem CID 170048690) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine
PubChem CID170048690
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC NameN-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine
SMILESCCN1C[C@H](c2nc(Nc3ccc4nccn4c3)cc(-c3cccnc3)n2)CC[C@@H]1C
InChIInChI=1S/C24H27N7/c1-3-30-15-19(7-6-17(30)2)24-28-21(18-5-4-10-25-14-18)13-22(29-24)27-20-8-9-23-26-11-12-31(23)16-20/h4-5,8-14,16-17,19H,3,6-7,15H2,1-2H3,(H,27,28,29)/t17-,19+/m0/s1
InChIKeySFUYPFRNNSVCGJ-PKOBYXMFSA-N
XLogP4.52
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine?
The IUPAC name of N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine (CID 170048690) is N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine is CCN1C[C@H](c2nc(Nc3ccc4nccn4c3)cc(-c3cccnc3)n2)CC[C@@H]1C.
What is the InChIKey of N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine?
The InChIKey is SFUYPFRNNSVCGJ-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H27N7/c1-3-30-15-19(7-6-17(30)2)24-28-21(18-5-4-10-25-14-18)13-22(29-24)27-20-8-9-23-26-11-12-31(23)16-20/h4-5,8-14,16-17,19H,3,6-7,15H2,1-2H3,(H,27,28,29)/t17-,19+/m0/s1.
What are the key properties of N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine?
N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine has a molecular weight of 413.53 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 170048690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).