N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine

C26H29ClFN9O — CID 164558534

About N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine

N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 164558534) has the molecular formula C26H29ClFN9O and a molecular weight of 538.03 g/mol. Its IUPAC name is N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 164558534
• Molecular Formula: C26H29ClFN9O
• Molecular Weight: 538.03 g/mol
• Exact Mass: 537.22
• IUPAC Name: N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine
• SMILES: CN1CC[C@@H](n2nc(Nc3nc4ncc(Oc5cnn6cc(F)ccc56)c(Cl)c4n3C)cc2C(C)(C)C)C1
• InChI: InChI=1S/C26H29ClFN9O/c1-26(2,3)20-10-21(33-37(20)16-8-9-34(4)14-16)31-25-32-24-23(35(25)5)22(27)19(11-29-24)38-18-12-30-36-13-15(28)6-7-17(18)36/h6-7,10-13,16H,8-9,14H2,1-5H3,(H,29,31,32,33)/t16-/m1/s1
• InChIKey: BWIZQIUGCZLAPD-MRXNPFEDSA-N
• XLogP: 5.32
• TPSA: 90.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.03
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine (CID 164558534) is N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine is CN1CC[C@@H](n2nc(Nc3nc4ncc(Oc5cnn6cc(F)ccc56)c(Cl)c4n3C)cc2C(C)(C)C)C1.

What is the InChIKey of N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The InChIKey is BWIZQIUGCZLAPD-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H29ClFN9O/c1-26(2,3)20-10-21(33-37(20)16-8-9-34(4)14-16)31-25-32-24-23(35(25)5)22(27)19(11-29-24)38-18-12-30-36-13-15(28)6-7-17(18)36/h6-7,10-13,16H,8-9,14H2,1-5H3,(H,29,31,32,33)/t16-/m1/s1.

What are the key properties of N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?

N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 538.03 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-tert-butyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-3-yl]-7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164558534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).