N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide

C30H31FN8O2 — CID 165024380

IUPACN-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C30H31FN8O2/c1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23/h2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37)/t18-,23+/m0/s1
InChIKeyNKXKYWBNUONQQO-FDDCHVKYSA-N
MW554.63 g/mol
LogP4.40
Rot. Bonds5

About N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide

N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide (PubChem CID 165024380) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide
PubChem CID165024380
Molecular FormulaC30H31FN8O2
Molecular Weight554.63 g/mol
Exact Mass554.26
IUPAC NameN-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C30H31FN8O2/c1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23/h2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37)/t18-,23+/m0/s1
InChIKeyNKXKYWBNUONQQO-FDDCHVKYSA-N
XLogP4.40
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.63
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 18
CID 25261231
Pyrazolo pyrimidine, 13
CID 44233160
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
Methyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44233391
Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
CID 44233640
Wye-687
CID 25229450
Wye-354
CID 44219749
Pyrazolo pyrimidine, 7
CID 44232914
Pyrazolo pyrimidine, 11
CID 44232916

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide (CID 165024380) is N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide is C[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is NKXKYWBNUONQQO-FDDCHVKYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23/h2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37)/t18-,23+/m0/s1.
What are the key properties of N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide?
N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 554.63 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 165024380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).