2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid

C23H25N7O3 — CID 70355632

IUPAC2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid
SMILESCOc1ccc2[nH]c(C3=CN=C(c4cnc(N5CCC(CC(=O)O)CC5)nc4)CC3)nc2n1
InChIInChI=1S/C23H25N7O3/c1-33-19-5-4-18-22(28-19)29-21(27-18)15-2-3-17(24-11-15)16-12-25-23(26-13-16)30-8-6-14(7-9-30)10-20(31)32/h4-5,11-14H,2-3,6-10H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyHUINLANGOHTNSO-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.07
Rot. Bonds6

About 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid

2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid (PubChem CID 70355632) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid
PubChem CID70355632
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid
SMILESCOc1ccc2[nH]c(C3=CN=C(c4cnc(N5CCC(CC(=O)O)CC5)nc4)CC3)nc2n1
InChIInChI=1S/C23H25N7O3/c1-33-19-5-4-18-22(28-19)29-21(27-18)15-2-3-17(24-11-15)16-12-25-23(26-13-16)30-8-6-14(7-9-30)10-20(31)32/h4-5,11-14H,2-3,6-10H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyHUINLANGOHTNSO-UHFFFAOYSA-N
XLogP3.07
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid (CID 70355632) is 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid is COc1ccc2[nH]c(C3=CN=C(c4cnc(N5CCC(CC(=O)O)CC5)nc4)CC3)nc2n1.
What is the InChIKey of 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The InChIKey is HUINLANGOHTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-33-19-5-4-18-22(28-19)29-21(27-18)15-2-3-17(24-11-15)16-12-25-23(26-13-16)30-8-6-14(7-9-30)10-20(31)32/h4-5,11-14H,2-3,6-10H2,1H3,(H,31,32)(H,27,28,29).
What are the key properties of 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid?
2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid has a molecular weight of 447.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 70355632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).