N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C22H25N7OS — CID 87945516

IUPACN-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCC1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C22H25N7OS/c1-30-11-7-15-5-9-29(10-6-15)17-4-8-23-20(12-17)28-22-27-19-3-2-18(26-21(19)31-22)16-13-24-25-14-16/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyGRZNPQMGGJJDII-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.47
Rot. Bonds7

About N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945516) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945516
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCC1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C22H25N7OS/c1-30-11-7-15-5-9-29(10-6-15)17-4-8-23-20(12-17)28-22-27-19-3-2-18(26-21(19)31-22)16-13-24-25-14-16/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyGRZNPQMGGJJDII-UHFFFAOYSA-N
XLogP4.47
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945516) is N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCC1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is GRZNPQMGGJJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-30-11-7-15-5-9-29(10-6-15)17-4-8-23-20(12-17)28-22-27-19-3-2-18(26-21(19)31-22)16-13-24-25-14-16/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,24,25)(H,23,27,28).
What are the key properties of N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 435.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).