N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde

C23H28FN5O2 — CID 164567946

IUPACN-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde
SMILESC=O.CC(C)Nc1cc(-n2ccc3cc(F)cnc32)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H26FN5O.CH2O/c1-14(2)26-19-11-20(28-9-8-15-10-16(23)12-25-21(15)28)24-13-18(19)22(29)27-17-6-4-3-5-7-17;1-2/h8-14,17H,3-7H2,1-2H3,(H,24,26)(H,27,29);1H2
InChIKeyMMKMMUSOGVLEHH-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.26
Rot. Bonds5

About N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde

N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde (PubChem CID 164567946) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde.

Molecular Properties

Compound NameN-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde
PubChem CID164567946
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC NameN-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde
SMILESC=O.CC(C)Nc1cc(-n2ccc3cc(F)cnc32)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H26FN5O.CH2O/c1-14(2)26-19-11-20(28-9-8-15-10-16(23)12-25-21(15)28)24-13-18(19)22(29)27-17-6-4-3-5-7-17;1-2/h8-14,17H,3-7H2,1-2H3,(H,24,26)(H,27,29);1H2
InChIKeyMMKMMUSOGVLEHH-UHFFFAOYSA-N
XLogP4.26
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206058
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(4-pyridin-4-ylcyclohex-3-en-1-yl)pyridine-3-carboxamide
CID 118206545
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2S)-2-fluoro-3-hydroxybutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206363
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide
CID 157278074
N-(3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-pyrrolo[2,3-d]pyrimidin-7-ylpyridine-3-carboxamide
CID 118206307
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206095
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206233
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-morpholin-4-ylsulfonylpropyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 157358844
6-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206009

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde?
The IUPAC name of N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde (CID 164567946) is N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde.
What is the SMILES notation for N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde?
The canonical SMILES for N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde is C=O.CC(C)Nc1cc(-n2ccc3cc(F)cnc32)ncc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde?
The InChIKey is MMKMMUSOGVLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O.CH2O/c1-14(2)26-19-11-20(28-9-8-15-10-16(23)12-25-21(15)28)24-13-18(19)22(29)27-17-6-4-3-5-7-17;1-2/h8-14,17H,3-7H2,1-2H3,(H,24,26)(H,27,29);1H2.
What are the key properties of N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde?
N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde has a molecular weight of 425.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde is sourced from PubChem (CID 164567946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).