Nvs-malt1

Name: Nvs-malt1 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₇ClF₃N₅O₄S — CID 155560620

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(1S)-1-[4-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide

SMILESCO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12

InChIInChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1

InChIKeyNVGROBHDOYRPAN-FPTDNZKUSA-N

MW574.03 g/mol

LogP4.72

Rot. Bonds7

About Nvs-malt1

Nvs-malt1 (PubChem CID 155560620) has the molecular formula C₂₄H₂₇ClF₃N₅O₄S and a molecular weight of 574.03 g/mol. Its IUPAC name is N-[(1S)-1-[4-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound Name	Nvs-malt1
PubChem CID	155560620
Molecular Formula	C₂₄H₂₇ClF₃N₅O₄S
Molecular Weight	574.03 g/mol
Exact Mass	573.14
IUPAC Name	N-[(1S)-1-[4-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
SMILES	CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12
InChI	InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1
InChIKey	NVGROBHDOYRPAN-FPTDNZKUSA-N
XLogP	4.72
TPSA	105.90 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.03
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Nvs-malt1?

The IUPAC name of Nvs-malt1 (CID 155560620) is N-[(1S)-1-[4-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide.

What is the SMILES notation for Nvs-malt1?

The canonical SMILES for Nvs-malt1 is CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12.

What is the InChIKey of Nvs-malt1?

The InChIKey is NVGROBHDOYRPAN-FPTDNZKUSA-N. The full InChI is InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1.

What are the key properties of Nvs-malt1?

Nvs-malt1 has a molecular weight of 574.03 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Nvs-malt1 is sourced from PubChem (CID 155560620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155560620 — identifiers, structure, computed properties (public domain)

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