N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde

C26H29ClF2N6O3 — CID 164594172

About N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde

N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde (PubChem CID 164594172) has the molecular formula C26H29ClF2N6O3 and a molecular weight of 547.01 g/mol. Its IUPAC name is N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde.

Molecular Properties

• Compound Name: N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde
• PubChem CID: 164594172
• Molecular Formula: C26H29ClF2N6O3
• Molecular Weight: 547.01 g/mol
• Exact Mass: 546.20
• IUPAC Name: N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde
• SMILES: C=C(N/C(C)=N/C)c1ncn2c1CC[C@H](c1c(F)ccc(Nc3cc(Cl)cnc3OC)c1F)C2.C=O.C=O
• InChI: InChI=1S/C24H25ClF2N6O.2CH2O/c1-13(31-14(2)28-3)23-20-8-5-15(11-33(20)12-30-23)21-17(26)6-7-18(22(21)27)32-19-9-16(25)10-29-24(19)34-4;2*1-2/h6-7,9-10,12,15,32H,1,5,8,11H2,2-4H3,(H,28,31);2*1H2/t15-;;/m0../s1
• InChIKey: WZTLYHATZFPMJB-CKUXDGONSA-N
• XLogP: 4.93
• TPSA: 110.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.01
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde?

The IUPAC name of N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde (CID 164594172) is N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde.

What is the SMILES notation for N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde?

The canonical SMILES for N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde is C=C(N/C(C)=N/C)c1ncn2c1CC[C@H](c1c(F)ccc(Nc3cc(Cl)cnc3OC)c1F)C2.C=O.C=O.

What is the InChIKey of N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde?

The InChIKey is WZTLYHATZFPMJB-CKUXDGONSA-N. The full InChI is InChI=1S/C24H25ClF2N6O.2CH2O/c1-13(31-14(2)28-3)23-20-8-5-15(11-33(20)12-30-23)21-17(26)6-7-18(22(21)27)32-19-9-16(25)10-29-24(19)34-4;2*1-2/h6-7,9-10,12,15,32H,1,5,8,11H2,2-4H3,(H,28,31);2*1H2/t15-;;/m0../s1.

What are the key properties of N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde?

N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde has a molecular weight of 547.01 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde is sourced from PubChem (CID 164594172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).