N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C22H24N10S — CID 15037428

IUPACN-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESc1cnc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1
InChIInChI=1S/C22H24N10S/c1-2-18-20(24-5-1)32(12-16-13-33-14-26-16)22(30-18)27-15-4-8-31(11-15)9-7-25-21-28-17-3-6-23-10-19(17)29-21/h1-3,5-6,10,13-15H,4,7-9,11-12H2,(H,27,30)(H2,25,28,29)
InChIKeyFQSQVEAHGKWFPP-UHFFFAOYSA-N
MW460.57 g/mol
LogP2.81
Rot. Bonds8

About N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine

N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 15037428) has the molecular formula C22H24N10S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID15037428
Molecular FormulaC22H24N10S
Molecular Weight460.57 g/mol
Exact Mass460.19
IUPAC NameN-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESc1cnc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1
InChIInChI=1S/C22H24N10S/c1-2-18-20(24-5-1)32(12-16-13-33-14-26-16)22(30-18)27-15-4-8-31(11-15)9-7-25-21-28-17-3-6-23-10-19(17)29-21/h1-3,5-6,10,13-15H,4,7-9,11-12H2,(H,27,30)(H2,25,28,29)
InChIKeyFQSQVEAHGKWFPP-UHFFFAOYSA-N
XLogP2.81
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 15037428) is N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine is c1cnc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1.
What is the InChIKey of N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is FQSQVEAHGKWFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10S/c1-2-18-20(24-5-1)32(12-16-13-33-14-26-16)22(30-18)27-15-4-8-31(11-15)9-7-25-21-28-17-3-6-23-10-19(17)29-21/h1-3,5-6,10,13-15H,4,7-9,11-12H2,(H,27,30)(H2,25,28,29).
What are the key properties of N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 460.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 15037428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).