N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C22H27N7OS — CID 71044877

IUPACN-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOCc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1CN1CCCCC1
InChIInChI=1S/C22H27N7OS/c1-15-12-29-18(17-9-24-25-10-17)11-23-22(29)21(26-15)27-20-8-16(14-30-2)19(31-20)13-28-6-4-3-5-7-28/h8-12H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBMJAYDHKDKHSJI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.37
Rot. Bonds7

About N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 71044877) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID71044877
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC NameN-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOCc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1CN1CCCCC1
InChIInChI=1S/C22H27N7OS/c1-15-12-29-18(17-9-24-25-10-17)11-23-22(29)21(26-15)27-20-8-16(14-30-2)19(31-20)13-28-6-4-3-5-7-28/h8-12H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBMJAYDHKDKHSJI-UHFFFAOYSA-N
XLogP4.37
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 71044877) is N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is COCc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1CN1CCCCC1.
What is the InChIKey of N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BMJAYDHKDKHSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-15-12-29-18(17-9-24-25-10-17)11-23-22(29)21(26-15)27-20-8-16(14-30-2)19(31-20)13-28-6-4-3-5-7-28/h8-12H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 437.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 71044877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).