4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C23H29N5O2 — CID 69247536

IUPAC4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCCCC3)c(C(=O)N[C@H](CO)c3ccccc3)cnc21
InChIInChI=1S/C23H29N5O2/c1-2-28-22-18(14-25-28)21(26-17-11-7-4-8-12-17)19(13-24-22)23(30)27-20(15-29)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17,20,29H,2,4,7-8,11-12,15H2,1H3,(H,24,26)(H,27,30)/t20-/m1/s1
InChIKeyIYKDTMHGCYWZAI-HXUWFJFHSA-N
MW407.52 g/mol
LogP3.66
Rot. Bonds7

About 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247536) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69247536
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCCCC3)c(C(=O)N[C@H](CO)c3ccccc3)cnc21
InChIInChI=1S/C23H29N5O2/c1-2-28-22-18(14-25-28)21(26-17-11-7-4-8-12-17)19(13-24-22)23(30)27-20(15-29)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17,20,29H,2,4,7-8,11-12,15H2,1H3,(H,24,26)(H,27,30)/t20-/m1/s1
InChIKeyIYKDTMHGCYWZAI-HXUWFJFHSA-N
XLogP3.66
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247536) is 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCCCC3)c(C(=O)N[C@H](CO)c3ccccc3)cnc21.
What is the InChIKey of 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IYKDTMHGCYWZAI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-28-22-18(14-25-28)21(26-17-11-7-4-8-12-17)19(13-24-22)23(30)27-20(15-29)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17,20,29H,2,4,7-8,11-12,15H2,1H3,(H,24,26)(H,27,30)/t20-/m1/s1.
What are the key properties of 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).