N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

C19H21FN6O3 — CID 118380826

IUPACN-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12
InChIInChI=1S/C19H21FN6O3/c1-10(27)22-17-13-9-21-15(8-14(13)25-26-17)23-18(28)24-16(19(2,3)29)11-4-6-12(20)7-5-11/h4-9,16,29H,1-3H3,(H2,21,23,24,28)(H2,22,25,26,27)/t16-/m0/s1
InChIKeyCPZGOFAEMRNIOT-INIZCTEOSA-N
MW400.41 g/mol
LogP2.69
Rot. Bonds5

About N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 118380826) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID118380826
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC NameN-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12
InChIInChI=1S/C19H21FN6O3/c1-10(27)22-17-13-9-21-15(8-14(13)25-26-17)23-18(28)24-16(19(2,3)29)11-4-6-12(20)7-5-11/h4-9,16,29H,1-3H3,(H2,21,23,24,28)(H2,22,25,26,27)/t16-/m0/s1
InChIKeyCPZGOFAEMRNIOT-INIZCTEOSA-N
XLogP2.69
TPSA132.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 118380826) is N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is CC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12.
What is the InChIKey of N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is CPZGOFAEMRNIOT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN6O3/c1-10(27)22-17-13-9-21-15(8-14(13)25-26-17)23-18(28)24-16(19(2,3)29)11-4-6-12(20)7-5-11/h4-9,16,29H,1-3H3,(H2,21,23,24,28)(H2,22,25,26,27)/t16-/m0/s1.
What are the key properties of N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 400.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 118380826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).